2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol

C51H40N2O — CID 141315844

IUPAC2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C51H40N2O/c1-51(2,54)47-35-41(27-34-50(47)53-48-19-11-9-17-45(48)46-18-10-12-20-49(46)53)40-25-32-44(33-26-40)52(42-28-21-38(22-29-42)36-13-5-3-6-14-36)43-30-23-39(24-31-43)37-15-7-4-8-16-37/h3-35,54H,1-2H3
InChIKeyKPCNDIXMWBTISX-UHFFFAOYSA-N
MW696.89 g/mol
LogP13.48
Rot. Bonds8

About 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol

2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol (PubChem CID 141315844) has the molecular formula C51H40N2O and a molecular weight of 696.89 g/mol. Its IUPAC name is 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
PubChem CID141315844
Molecular FormulaC51H40N2O
Molecular Weight696.89 g/mol
Exact Mass696.31
IUPAC Name2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C51H40N2O/c1-51(2,54)47-35-41(27-34-50(47)53-48-19-11-9-17-45(48)46-18-10-12-20-49(46)53)40-25-32-44(33-26-40)52(42-28-21-38(22-29-42)36-13-5-3-6-14-36)43-30-23-39(24-31-43)37-15-7-4-8-16-37/h3-35,54H,1-2H3
InChIKeyKPCNDIXMWBTISX-UHFFFAOYSA-N
XLogP13.48
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 513.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
CID 67450875
4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828070
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 177073320
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol (CID 141315844) is 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The InChIKey is KPCNDIXMWBTISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2O/c1-51(2,54)47-35-41(27-34-50(47)53-48-19-11-9-17-45(48)46-18-10-12-20-49(46)53)40-25-32-44(33-26-40)52(42-28-21-38(22-29-42)36-13-5-3-6-14-36)43-30-23-39(24-31-43)37-15-7-4-8-16-37/h3-35,54H,1-2H3.
What are the key properties of 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol has a molecular weight of 696.89 g/mol, XLogP of 13.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 141315844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).