6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol

C30H24N2O5 — CID 144911620

IUPAC6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc(NC3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)cc2)c(O)c1O
InChIInChI=1S/C30H24N2O5/c33-26-25(27(34)29(36)30(37)28(26)35)17-10-12-18(13-11-17)31-19-14-15-24-22(16-19)21-8-4-5-9-23(21)32(24)20-6-2-1-3-7-20/h1-13,16,31,33-37H,14-15H2
InChIKeyKNCQNXKEHIQSLN-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.22
Rot. Bonds4

About 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol

6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 144911620) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol
PubChem CID144911620
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc(NC3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)cc2)c(O)c1O
InChIInChI=1S/C30H24N2O5/c33-26-25(27(34)29(36)30(37)28(26)35)17-10-12-18(13-11-17)31-19-14-15-24-22(16-19)21-8-4-5-9-23(21)32(24)20-6-2-1-3-7-20/h1-13,16,31,33-37H,14-15H2
InChIKeyKNCQNXKEHIQSLN-UHFFFAOYSA-N
XLogP6.22
TPSA118.11 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500492.53
LogP ≤ 56.22
H-Bond Donors ≤ 56
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'}

Analyze 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol with MolForge

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Related Compounds

3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
CID 88979154
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol (CID 144911620) is 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2ccc(NC3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)cc2)c(O)c1O.
What is the InChIKey of 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is KNCQNXKEHIQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c33-26-25(27(34)29(36)30(37)28(26)35)17-10-12-18(13-11-17)31-19-14-15-24-22(16-19)21-8-4-5-9-23(21)32(24)20-6-2-1-3-7-20/h1-13,16,31,33-37H,14-15H2.
What are the key properties of 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol?
6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 492.53 g/mol, XLogP of 6.22, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 144911620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).