phenyl-bis(9-phenylcarbazol-3-yl)methanol

C43H30N2O — CID 15404297

IUPACphenyl-bis(9-phenylcarbazol-3-yl)methanol
SMILESOC(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H30N2O/c46-43(30-14-4-1-5-15-30,31-24-26-41-37(28-31)35-20-10-12-22-39(35)44(41)33-16-6-2-7-17-33)32-25-27-42-38(29-32)36-21-11-13-23-40(36)45(42)34-18-8-3-9-19-34/h1-29,46H
InChIKeyVASFFFMVEIBHCZ-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.16
Rot. Bonds5

About phenyl-bis(9-phenylcarbazol-3-yl)methanol

phenyl-bis(9-phenylcarbazol-3-yl)methanol (PubChem CID 15404297) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is phenyl-bis(9-phenylcarbazol-3-yl)methanol.

Molecular Properties

Compound Namephenyl-bis(9-phenylcarbazol-3-yl)methanol
PubChem CID15404297
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Namephenyl-bis(9-phenylcarbazol-3-yl)methanol
SMILESOC(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H30N2O/c46-43(30-14-4-1-5-15-30,31-24-26-41-37(28-31)35-20-10-12-22-39(35)44(41)33-16-6-2-7-17-33)32-25-27-42-38(29-32)36-21-11-13-23-40(36)45(42)34-18-8-3-9-19-34/h1-29,46H
InChIKeyVASFFFMVEIBHCZ-UHFFFAOYSA-N
XLogP10.16
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-(4-tritylphenyl)carbazole
CID 162500226
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832

Frequently Asked Questions

What is the IUPAC name of phenyl-bis(9-phenylcarbazol-3-yl)methanol?
The IUPAC name of phenyl-bis(9-phenylcarbazol-3-yl)methanol (CID 15404297) is phenyl-bis(9-phenylcarbazol-3-yl)methanol.
What is the SMILES notation for phenyl-bis(9-phenylcarbazol-3-yl)methanol?
The canonical SMILES for phenyl-bis(9-phenylcarbazol-3-yl)methanol is OC(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of phenyl-bis(9-phenylcarbazol-3-yl)methanol?
The InChIKey is VASFFFMVEIBHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c46-43(30-14-4-1-5-15-30,31-24-26-41-37(28-31)35-20-10-12-22-39(35)44(41)33-16-6-2-7-17-33)32-25-27-42-38(29-32)36-21-11-13-23-40(36)45(42)34-18-8-3-9-19-34/h1-29,46H.
What are the key properties of phenyl-bis(9-phenylcarbazol-3-yl)methanol?
phenyl-bis(9-phenylcarbazol-3-yl)methanol has a molecular weight of 590.73 g/mol, XLogP of 10.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(9-phenylcarbazol-3-yl)methanol is sourced from PubChem (CID 15404297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).