9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine

C302H251F12N21O28 — CID 159732955

IUPAC9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2C)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C170H146N12O16.C132H105F12N9O12/c1-183-139-57-17-115(18-58-139)175(116-19-59-140(184-2)60-20-116)131-49-89-163-155(99-131)156-100-132(176(117-21-61-141(185-3)62-22-117)118-23-63-142(186-4)64-24-118)50-90-164(156)171(163)107-111-97-113(109-173-167-93-53-135(179(123-33-73-147(191-9)74-34-123)124-35-75-148(192-10)76-36-124)103-159(167)160-104-136(54-94-168(160)173)180(125-37-77-149(193-11)78-38-125)126-39-79-150(194-12)80-40-126)114(110-174-169-95-55-137(181(127-41-81-151(195-13)82-42-127)128-43-83-152(196-14)84-44-128)105-161(169)162-106-138(56-96-170(162)174)182(129-45-85-153(197-15)86-46-129)130-47-87-154(198-16)88-48-130)98-112(111)108-172-165-91-51-133(177(119-25-65-143(187-5)66-26-119)120-27-67-144(188-6)68-28-120)101-157(165)158-102-134(52-92-166(158)172)178(121-29-69-145(189-7)70-30-121)122-31-71-146(190-8)72-32-122;1-81-120(78-145-123-66-36-96(148(84-12-42-102(154-4)43-13-84)85-14-44-103(155-5)45-15-85)72-114(123)115-73-97(37-67-124(115)145)149(86-16-46-104(156-6)47-17-86)87-18-48-105(157-7)49-19-87)82(2)122(83(3)121(81)79-146-125-68-38-98(150(88-20-50-106(158-8)51-21-88)89-22-52-107(159-9)53-23-89)74-116(125)117-75-99(39-69-126(117)146)151(90-24-54-108(160-10)55-25-90)92-28-58-110(59-29-92)162-129(133,134)135)80-147-127-70-40-100(152(91-26-56-109(161-11)57-27-91)93-30-60-111(61-31-93)163-130(136,137)138)76-118(127)119-77-101(41-71-128(119)147)153(94-32-62-112(63-33-94)164-131(139,140)141)95-34-64-113(65-35-95)165-132(142,143)144/h17-106H,107-110H2,1-16H3;12-77H,78-80H2,1-11H3
InChIKeyNBLVKXUHSRHCCO-UHFFFAOYSA-N
MW4850.43 g/mol
LogP78.77
Rot. Bonds84

About 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine

9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine (PubChem CID 159732955) has the molecular formula C302H251F12N21O28 and a molecular weight of 4850.43 g/mol. Its IUPAC name is 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine
PubChem CID159732955
Molecular FormulaC302H251F12N21O28
Molecular Weight4850.43 g/mol
Exact Mass4846.87
IUPAC Name9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2C)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C170H146N12O16.C132H105F12N9O12/c1-183-139-57-17-115(18-58-139)175(116-19-59-140(184-2)60-20-116)131-49-89-163-155(99-131)156-100-132(176(117-21-61-141(185-3)62-22-117)118-23-63-142(186-4)64-24-118)50-90-164(156)171(163)107-111-97-113(109-173-167-93-53-135(179(123-33-73-147(191-9)74-34-123)124-35-75-148(192-10)76-36-124)103-159(167)160-104-136(54-94-168(160)173)180(125-37-77-149(193-11)78-38-125)126-39-79-150(194-12)80-40-126)114(110-174-169-95-55-137(181(127-41-81-151(195-13)82-42-127)128-43-83-152(196-14)84-44-128)105-161(169)162-106-138(56-96-170(162)174)182(129-45-85-153(197-15)86-46-129)130-47-87-154(198-16)88-48-130)98-112(111)108-172-165-91-51-133(177(119-25-65-143(187-5)66-26-119)120-27-67-144(188-6)68-28-120)101-157(165)158-102-134(52-92-166(158)172)178(121-29-69-145(189-7)70-30-121)122-31-71-146(190-8)72-32-122;1-81-120(78-145-123-66-36-96(148(84-12-42-102(154-4)43-13-84)85-14-44-103(155-5)45-15-85)72-114(123)115-73-97(37-67-124(115)145)149(86-16-46-104(156-6)47-17-86)87-18-48-105(157-7)49-19-87)82(2)122(83(3)121(81)79-146-125-68-38-98(150(88-20-50-106(158-8)51-21-88)89-22-52-107(159-9)53-23-89)74-116(125)117-75-99(39-69-126(117)146)151(90-24-54-108(160-10)55-25-90)92-28-58-110(59-29-92)162-129(133,134)135)80-147-127-70-40-100(152(91-26-56-109(161-11)57-27-91)93-30-60-111(61-31-93)163-130(136,137)138)76-118(127)119-77-101(41-71-128(119)147)153(94-32-62-112(63-33-94)164-131(139,140)141)95-34-64-113(65-35-95)165-132(142,143)144/h17-106H,107-110H2,1-16H3;12-77H,78-80H2,1-11H3
InChIKeyNBLVKXUHSRHCCO-UHFFFAOYSA-N
XLogP78.77
TPSA338.31 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds84
Heavy Atoms363
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004850.43
LogP ≤ 578.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine with MolForge

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Related Compounds

ethoxyethane;tetrakis((2S)-2-(4-methylphenyl)-10-phenyl-2-(trifluoromethyl)-[1,3,5]oxadiazino[3,2-a]indole)
CID 139050838
9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546736
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546739
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546742
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124174127
3-Methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
CID 134192424
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215671
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215672
9-[[2-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215673
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215674

Frequently Asked Questions

What is the IUPAC name of 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine?
The IUPAC name of 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine (CID 159732955) is 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c(C)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2C)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine?
The InChIKey is NBLVKXUHSRHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H146N12O16.C132H105F12N9O12/c1-183-139-57-17-115(18-58-139)175(116-19-59-140(184-2)60-20-116)131-49-89-163-155(99-131)156-100-132(176(117-21-61-141(185-3)62-22-117)118-23-63-142(186-4)64-24-118)50-90-164(156)171(163)107-111-97-113(109-173-167-93-53-135(179(123-33-73-147(191-9)74-34-123)124-35-75-148(192-10)76-36-124)103-159(167)160-104-136(54-94-168(160)173)180(125-37-77-149(193-11)78-38-125)126-39-79-150(194-12)80-40-126)114(110-174-169-95-55-137(181(127-41-81-151(195-13)82-42-127)128-43-83-152(196-14)84-44-128)105-161(169)162-106-138(56-96-170(162)174)182(129-45-85-153(197-15)86-46-129)130-47-87-154(198-16)88-48-130)98-112(111)108-172-165-91-51-133(177(119-25-65-143(187-5)66-26-119)120-27-67-144(188-6)68-28-120)101-157(165)158-102-134(52-92-166(158)172)178(121-29-69-145(189-7)70-30-121)122-31-71-146(190-8)72-32-122;1-81-120(78-145-123-66-36-96(148(84-12-42-102(154-4)43-13-84)85-14-44-103(155-5)45-15-85)72-114(123)115-73-97(37-67-124(115)145)149(86-16-46-104(156-6)47-17-86)87-18-48-105(157-7)49-19-87)82(2)122(83(3)121(81)79-146-125-68-38-98(150(88-20-50-106(158-8)51-21-88)89-22-52-107(159-9)53-23-89)74-116(125)117-75-99(39-69-126(117)146)151(90-24-54-108(160-10)55-25-90)92-28-58-110(59-29-92)162-129(133,134)135)80-147-127-70-40-100(152(91-26-56-109(161-11)57-27-91)93-30-60-111(61-31-93)163-130(136,137)138)76-118(127)119-77-101(41-71-128(119)147)153(94-32-62-112(63-33-94)164-131(139,140)141)95-34-64-113(65-35-95)165-132(142,143)144/h17-106H,107-110H2,1-16H3;12-77H,78-80H2,1-11H3.
What are the key properties of 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine?
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine has a molecular weight of 4850.43 g/mol, XLogP of 78.77, 84 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine is sourced from PubChem (CID 159732955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).