6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol

C43H32N2O5 — CID 170360872

IUPAC6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4c(O)c(O)c(O)c(O)c4O)cc3)c2c1
InChIInChI=1S/C43H32N2O5/c1-44(30-20-15-27(16-21-30)26-9-3-2-4-10-26)35-13-7-5-11-32(35)29-19-24-34-33-12-6-8-14-36(33)45(37(34)25-29)31-22-17-28(18-23-31)38-39(46)41(48)43(50)42(49)40(38)47/h2-25,46-50H,1H3
InChIKeyRVCJECCOCWGMDC-UHFFFAOYSA-N
MW656.74 g/mol
LogP10.08
Rot. Bonds6

About 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol

6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 170360872) has the molecular formula C43H32N2O5 and a molecular weight of 656.74 g/mol. Its IUPAC name is 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol
PubChem CID170360872
Molecular FormulaC43H32N2O5
Molecular Weight656.74 g/mol
Exact Mass656.23
IUPAC Name6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4c(O)c(O)c(O)c(O)c4O)cc3)c2c1
InChIInChI=1S/C43H32N2O5/c1-44(30-20-15-27(16-21-30)26-9-3-2-4-10-26)35-13-7-5-11-32(35)29-19-24-34-33-12-6-8-14-36(33)45(37(34)25-29)31-22-17-28(18-23-31)38-39(46)41(48)43(50)42(49)40(38)47/h2-25,46-50H,1H3
InChIKeyRVCJECCOCWGMDC-UHFFFAOYSA-N
XLogP10.08
TPSA109.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.74
LogP ≤ 510.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine
CID 144831047
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 137467140
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N,N-dimethyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 144888229
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 169064297
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780
N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol (CID 170360872) is 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol is CN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4c(O)c(O)c(O)c(O)c4O)cc3)c2c1.
What is the InChIKey of 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is RVCJECCOCWGMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O5/c1-44(30-20-15-27(16-21-30)26-9-3-2-4-10-26)35-13-7-5-11-32(35)29-19-24-34-33-12-6-8-14-36(33)45(37(34)25-29)31-22-17-28(18-23-31)38-39(46)41(48)43(50)42(49)40(38)47/h2-25,46-50H,1H3.
What are the key properties of 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol?
6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 656.74 g/mol, XLogP of 10.08, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 170360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).