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

C88H76N6O8 — CID 122381839

IUPAC9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]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)ccc2n3Cc2ccccc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C88H76N6O8/c1-95-73-33-13-61(14-34-73)91(62-15-35-74(96-2)36-16-62)69-29-49-85-81(53-69)82-54-70(92(63-17-37-75(97-3)38-18-63)64-19-39-76(98-4)40-20-64)30-50-86(82)89(85)57-59-11-9-10-12-60(59)58-90-87-51-31-71(93(65-21-41-77(99-5)42-22-65)66-23-43-78(100-6)44-24-66)55-83(87)84-56-72(32-52-88(84)90)94(67-25-45-79(101-7)46-26-67)68-27-47-80(102-8)48-28-68/h9-56H,57-58H2,1-8H3
InChIKeyUJFCAZNSGCEREK-UHFFFAOYSA-N
MW1345.61 g/mol
LogP21.95
Rot. Bonds24

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

9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 122381839) has the molecular formula C88H76N6O8 and a molecular weight of 1345.61 g/mol. Its IUPAC name is 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID122381839
Molecular FormulaC88H76N6O8
Molecular Weight1345.61 g/mol
Exact Mass1344.57
IUPAC Name9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]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)ccc2n3Cc2ccccc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C88H76N6O8/c1-95-73-33-13-61(14-34-73)91(62-15-35-74(96-2)36-16-62)69-29-49-85-81(53-69)82-54-70(92(63-17-37-75(97-3)38-18-63)64-19-39-76(98-4)40-20-64)30-50-86(82)89(85)57-59-11-9-10-12-60(59)58-90-87-51-31-71(93(65-21-41-77(99-5)42-22-65)66-23-43-78(100-6)44-24-66)55-83(87)84-56-72(32-52-88(84)90)94(67-25-45-79(101-7)46-26-67)68-27-47-80(102-8)48-28-68/h9-56H,57-58H2,1-8H3
InChIKeyUJFCAZNSGCEREK-UHFFFAOYSA-N
XLogP21.95
TPSA96.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.61
LogP ≤ 521.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]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-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 122381839) is 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]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)ccc2n3Cc2ccccc2Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is UJFCAZNSGCEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H76N6O8/c1-95-73-33-13-61(14-34-73)91(62-15-35-74(96-2)36-16-62)69-29-49-85-81(53-69)82-54-70(92(63-17-37-75(97-3)38-18-63)64-19-39-76(98-4)40-20-64)30-50-86(82)89(85)57-59-11-9-10-12-60(59)58-90-87-51-31-71(93(65-21-41-77(99-5)42-22-65)66-23-43-78(100-6)44-24-66)55-83(87)84-56-72(32-52-88(84)90)94(67-25-45-79(101-7)46-26-67)68-27-47-80(102-8)48-28-68/h9-56H,57-58H2,1-8H3.
What are the key properties of 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1345.61 g/mol, XLogP of 21.95, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 122381839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).