N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine

C62H46N4O2 — CID 58651978

IUPACN-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESCOc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H46N4O2/c1-67-53-35-29-49(30-36-53)63(51-33-39-61-57(41-51)55-17-9-11-19-59(55)65(61)45-13-5-3-6-14-45)47-25-21-43(22-26-47)44-23-27-48(28-24-44)64(50-31-37-54(68-2)38-32-50)52-34-40-62-58(42-52)56-18-10-12-20-60(56)66(62)46-15-7-4-8-16-46/h3-42H,1-2H3
InChIKeyWOZFMULXBQRFIM-UHFFFAOYSA-N
MW879.08 g/mol
LogP16.50
Rot. Bonds11

About N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine

N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 58651978) has the molecular formula C62H46N4O2 and a molecular weight of 879.08 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID58651978
Molecular FormulaC62H46N4O2
Molecular Weight879.08 g/mol
Exact Mass878.36
IUPAC NameN-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESCOc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H46N4O2/c1-67-53-35-29-49(30-36-53)63(51-33-39-61-57(41-51)55-17-9-11-19-59(55)65(61)45-13-5-3-6-14-45)47-25-21-43(22-26-47)44-23-27-48(28-24-44)64(50-31-37-54(68-2)38-32-50)52-34-40-62-58(42-52)56-18-10-12-20-60(56)66(62)46-15-7-4-8-16-46/h3-42H,1-2H3
InChIKeyWOZFMULXBQRFIM-UHFFFAOYSA-N
XLogP16.50
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
CID 88866500
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-triphenylgermylcarbazol-3-amine
CID 140704741
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-phenoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]methanol
CID 157369314
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine (CID 58651978) is N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine is COc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is WOZFMULXBQRFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4O2/c1-67-53-35-29-49(30-36-53)63(51-33-39-61-57(41-51)55-17-9-11-19-59(55)65(61)45-13-5-3-6-14-45)47-25-21-43(22-26-47)44-23-27-48(28-24-44)64(50-31-37-54(68-2)38-32-50)52-34-40-62-58(42-52)56-18-10-12-20-60(56)66(62)46-15-7-4-8-16-46/h3-42H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 879.08 g/mol, XLogP of 16.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58651978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).