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

C132H105F12N9O12 — CID 134215675

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
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
InChIInChI=1S/C132H105F12N9O12/c1-81-120(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/h12-77H,78-80H2,1-11H3
InChIKeyGDFLFPODUDHXTD-UHFFFAOYSA-N
MW2237.32 g/mol
LogP36.56
Rot. Bonds36

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

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 (PubChem CID 134215675) has the molecular formula C132H105F12N9O12 and a molecular weight of 2237.32 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.

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
PubChem CID134215675
Molecular FormulaC132H105F12N9O12
Molecular Weight2237.32 g/mol
Exact Mass2235.77
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
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
InChIInChI=1S/C132H105F12N9O12/c1-81-120(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/h12-77H,78-80H2,1-11H3
InChIKeyGDFLFPODUDHXTD-UHFFFAOYSA-N
XLogP36.56
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002237.32
LogP ≤ 536.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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 with MolForge

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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?
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 (CID 134215675) 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.
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?
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 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.
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?
The InChIKey is GDFLFPODUDHXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H105F12N9O12/c1-81-120(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/h12-77H,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?
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 has a molecular weight of 2237.32 g/mol, XLogP of 36.56, 36 rotatable bonds, 0 hydrogen bond donors, and 21 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 is sourced from PubChem (CID 134215675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).