9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol

C42H29N3O2 — CID 175977986

IUPAC9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
SMILESOc1cccc2c1c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(O)cccc43)cc2)cc1
InChIInChI=1S/C42H29N3O2/c46-39-18-8-16-37-41(39)33-12-4-6-14-35(33)44(37)31-24-20-29(21-25-31)43(28-10-2-1-3-11-28)30-22-26-32(27-23-30)45-36-15-7-5-13-34(36)42-38(45)17-9-19-40(42)47/h1-27,46-47H
InChIKeyKYDNPMYJWWUEBB-UHFFFAOYSA-N
MW607.71 g/mol
LogP10.76
Rot. Bonds5

About 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol

9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol (PubChem CID 175977986) has the molecular formula C42H29N3O2 and a molecular weight of 607.71 g/mol. Its IUPAC name is 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol.

Molecular Properties

Compound Name9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
PubChem CID175977986
Molecular FormulaC42H29N3O2
Molecular Weight607.71 g/mol
Exact Mass607.23
IUPAC Name9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
SMILESOc1cccc2c1c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(O)cccc43)cc2)cc1
InChIInChI=1S/C42H29N3O2/c46-39-18-8-16-37-41(39)33-12-4-6-14-35(33)44(37)31-24-20-29(21-25-31)43(28-10-2-1-3-11-28)30-22-26-32(27-23-30)45-36-15-7-5-13-34(36)42-38(45)17-9-19-40(42)47/h1-27,46-47H
InChIKeyKYDNPMYJWWUEBB-UHFFFAOYSA-N
XLogP10.76
TPSA53.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 510.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline
CID 118651790
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
4-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)-N,N-diphenylaniline
CID 126720171
N,N-diphenyl-4-[25-[4-(N-phenylanilino)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaen-9-yl]aniline
CID 118667460
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397

Frequently Asked Questions

What is the IUPAC name of 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol?
The IUPAC name of 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol (CID 175977986) is 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol.
What is the SMILES notation for 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol?
The canonical SMILES for 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol is Oc1cccc2c1c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(O)cccc43)cc2)cc1.
What is the InChIKey of 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol?
The InChIKey is KYDNPMYJWWUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O2/c46-39-18-8-16-37-41(39)33-12-4-6-14-35(33)44(37)31-24-20-29(21-25-31)43(28-10-2-1-3-11-28)30-22-26-32(27-23-30)45-36-15-7-5-13-34(36)42-38(45)17-9-19-40(42)47/h1-27,46-47H.
What are the key properties of 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol?
9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol has a molecular weight of 607.71 g/mol, XLogP of 10.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol is sourced from PubChem (CID 175977986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).