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

C129H78F33N9O12 — CID 134220708

IUPAC9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1
InChIInChI=1S/C129H78F33N9O12/c1-172-95-32-2-77(3-33-95)166(78-4-34-96(35-5-78)173-119(130,131)132)89-26-56-113-107(65-89)108-66-90(167(79-6-36-97(37-7-79)174-120(133,134)135)80-8-38-98(39-9-80)175-121(136,137)138)27-57-114(108)163(113)71-74-62-75(72-164-115-58-28-91(168(81-10-40-99(41-11-81)176-122(139,140)141)82-12-42-100(43-13-82)177-123(142,143)144)67-109(115)110-68-92(29-59-116(110)164)169(83-14-44-101(45-15-83)178-124(145,146)147)84-16-46-102(47-17-84)179-125(148,149)150)64-76(63-74)73-165-117-60-30-93(170(85-18-48-103(49-19-85)180-126(151,152)153)86-20-50-104(51-21-86)181-127(154,155)156)69-111(117)112-70-94(31-61-118(112)165)171(87-22-52-105(53-23-87)182-128(157,158)159)88-24-54-106(55-25-88)183-129(160,161)162/h2-70H,71-73H2,1H3
InChIKeyXNHARMUYKXLHTG-UHFFFAOYSA-N
MW2573.03 g/mol
LogP41.87
Rot. Bonds36

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

9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 134220708) has the molecular formula C129H78F33N9O12 and a molecular weight of 2573.03 g/mol. Its IUPAC name is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
PubChem CID134220708
Molecular FormulaC129H78F33N9O12
Molecular Weight2573.03 g/mol
Exact Mass2571.52
IUPAC Name9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1
InChIInChI=1S/C129H78F33N9O12/c1-172-95-32-2-77(3-33-95)166(78-4-34-96(35-5-78)173-119(130,131)132)89-26-56-113-107(65-89)108-66-90(167(79-6-36-97(37-7-79)174-120(133,134)135)80-8-38-98(39-9-80)175-121(136,137)138)27-57-114(108)163(113)71-74-62-75(72-164-115-58-28-91(168(81-10-40-99(41-11-81)176-122(139,140)141)82-12-42-100(43-13-82)177-123(142,143)144)67-109(115)110-68-92(29-59-116(110)164)169(83-14-44-101(45-15-83)178-124(145,146)147)84-16-46-102(47-17-84)179-125(148,149)150)64-76(63-74)73-165-117-60-30-93(170(85-18-48-103(49-19-85)180-126(151,152)153)86-20-50-104(51-21-86)181-127(154,155)156)69-111(117)112-70-94(31-61-118(112)165)171(87-22-52-105(53-23-87)182-128(157,158)159)88-24-54-106(55-25-88)183-129(160,161)162/h2-70H,71-73H2,1H3
InChIKeyXNHARMUYKXLHTG-UHFFFAOYSA-N
XLogP41.87
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002573.03
LogP ≤ 541.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 134220708) is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1.
What is the InChIKey of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The InChIKey is XNHARMUYKXLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H78F33N9O12/c1-172-95-32-2-77(3-33-95)166(78-4-34-96(35-5-78)173-119(130,131)132)89-26-56-113-107(65-89)108-66-90(167(79-6-36-97(37-7-79)174-120(133,134)135)80-8-38-98(39-9-80)175-121(136,137)138)27-57-114(108)163(113)71-74-62-75(72-164-115-58-28-91(168(81-10-40-99(41-11-81)176-122(139,140)141)82-12-42-100(43-13-82)177-123(142,143)144)67-109(115)110-68-92(29-59-116(110)164)169(83-14-44-101(45-15-83)178-124(145,146)147)84-16-46-102(47-17-84)179-125(148,149)150)64-76(63-74)73-165-117-60-30-93(170(85-18-48-103(49-19-85)180-126(151,152)153)86-20-50-104(51-21-86)181-127(154,155)156)69-111(117)112-70-94(31-61-118(112)165)171(87-22-52-105(53-23-87)182-128(157,158)159)88-24-54-106(55-25-88)183-129(160,161)162/h2-70H,71-73H2,1H3.
What are the key properties of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 2573.03 g/mol, XLogP of 41.87, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 134220708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).