[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol

C68H49N5O2 — CID 88866500

IUPAC[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(CO)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C68H49N5O2/c1-75-56-35-29-51(30-36-56)70(53-32-38-66-60(42-53)58-22-12-14-24-64(58)72(66)48-17-7-3-8-18-48)55-34-40-68-62(44-55)61-43-54(33-39-67(61)73(68)49-19-9-4-10-20-49)69(50-27-25-46(45-74)26-28-50)52-31-37-65-59(41-52)57-21-11-13-23-63(57)71(65)47-15-5-2-6-16-47/h2-44,74H,45H2,1H3
InChIKeyUFZYUQSDBQZXNV-UHFFFAOYSA-N
MW968.17 g/mol
LogP17.42
Rot. Bonds11

About [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol

[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol (PubChem CID 88866500) has the molecular formula C68H49N5O2 and a molecular weight of 968.17 g/mol. Its IUPAC name is [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
PubChem CID88866500
Molecular FormulaC68H49N5O2
Molecular Weight968.17 g/mol
Exact Mass967.39
IUPAC Name[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(CO)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C68H49N5O2/c1-75-56-35-29-51(30-36-56)70(53-32-38-66-60(42-53)58-22-12-14-24-64(58)72(66)48-17-7-3-8-18-48)55-34-40-68-62(44-55)61-43-54(33-39-67(61)73(68)49-19-9-4-10-20-49)69(50-27-25-46(45-74)26-28-50)52-31-37-65-59(41-52)57-21-11-13-23-63(57)71(65)47-15-5-2-6-16-47/h2-44,74H,45H2,1H3
InChIKeyUFZYUQSDBQZXNV-UHFFFAOYSA-N
XLogP17.42
TPSA50.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.17
LogP ≤ 517.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
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-methoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-triphenylgermylcarbazol-3-amine
CID 140704741
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-[4-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine;4-[4-[4-[4-[4-(4-isocyanophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile;[4-[4-[4-[4-[4-(4-methoxyphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]methanol;N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[4-(4-methylphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 159969179
[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
CID 147446176
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
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

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol?
The IUPAC name of [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol (CID 88866500) is [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol is COc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(CO)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol?
The InChIKey is UFZYUQSDBQZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N5O2/c1-75-56-35-29-51(30-36-56)70(53-32-38-66-60(42-53)58-22-12-14-24-64(58)72(66)48-17-7-3-8-18-48)55-34-40-68-62(44-55)61-43-54(33-39-67(61)73(68)49-19-9-4-10-20-49)69(50-27-25-46(45-74)26-28-50)52-31-37-65-59(41-52)57-21-11-13-23-63(57)71(65)47-15-5-2-6-16-47/h2-44,74H,45H2,1H3.
What are the key properties of [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol?
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol has a molecular weight of 968.17 g/mol, XLogP of 17.42, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 88866500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).