9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol

C40H32N2O2 — CID 134962063

IUPAC9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol
SMILESCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C40H32N2O2/c1-25-21-31-29-17-9-11-19-33(29)41(23-27-13-5-3-6-14-27)37(31)35(39(25)43)36-38-32(22-26(2)40(36)44)30-18-10-12-20-34(30)42(38)24-28-15-7-4-8-16-28/h3-22,43-44H,23-24H2,1-2H3
InChIKeyMJKITZRZTROLHM-UHFFFAOYSA-N
MW572.71 g/mol
LogP9.69
Rot. Bonds5

About 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol

9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol (PubChem CID 134962063) has the molecular formula C40H32N2O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol.

Molecular Properties

Compound Name9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol
PubChem CID134962063
Molecular FormulaC40H32N2O2
Molecular Weight572.71 g/mol
Exact Mass572.25
IUPAC Name9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol
SMILESCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C40H32N2O2/c1-25-21-31-29-17-9-11-19-33(29)41(23-27-13-5-3-6-14-27)37(31)35(39(25)43)36-38-32(22-26(2)40(36)44)30-18-10-12-20-34(30)42(38)24-28-15-7-4-8-16-28/h3-22,43-44H,23-24H2,1-2H3
InChIKeyMJKITZRZTROLHM-UHFFFAOYSA-N
XLogP9.69
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 59.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol?
The IUPAC name of 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol (CID 134962063) is 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol.
What is the SMILES notation for 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol?
The canonical SMILES for 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol is Cc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O.
What is the InChIKey of 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol?
The InChIKey is MJKITZRZTROLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O2/c1-25-21-31-29-17-9-11-19-33(29)41(23-27-13-5-3-6-14-27)37(31)35(39(25)43)36-38-32(22-26(2)40(36)44)30-18-10-12-20-34(30)42(38)24-28-15-7-4-8-16-28/h3-22,43-44H,23-24H2,1-2H3.
What are the key properties of 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol?
9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol has a molecular weight of 572.71 g/mol, XLogP of 9.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-(9-benzyl-2-hydroxy-3-methylcarbazol-1-yl)-3-methylcarbazol-2-ol is sourced from PubChem (CID 134962063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).