9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole

C48H30N2 — CID 163872533

IUPAC9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccccc65)c5c6ccccc6c6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H30N2/c1-2-14-31(15-3-1)32-26-27-40-39-21-8-11-23-43(39)49(46(40)28-32)33-29-42-36-18-5-4-16-34(36)35-17-6-7-22-41(35)48(42)47(30-33)50-44-24-12-9-19-37(44)38-20-10-13-25-45(38)50/h1-30H
InChIKeyPMCDMOLFQBDMBY-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole

9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole (PubChem CID 163872533) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole
PubChem CID163872533
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccccc65)c5c6ccccc6c6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H30N2/c1-2-14-31(15-3-1)32-26-27-40-39-21-8-11-23-43(39)49(46(40)28-32)33-29-42-36-18-5-4-16-34(36)35-17-6-7-22-41(35)48(42)47(30-33)50-44-24-12-9-19-37(44)38-20-10-13-25-45(38)50/h1-30H
InChIKeyPMCDMOLFQBDMBY-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 142356273
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole
CID 167377814
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole?
The IUPAC name of 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole (CID 163872533) is 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccccc65)c5c6ccccc6c6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole?
The InChIKey is PMCDMOLFQBDMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-14-31(15-3-1)32-26-27-40-39-21-8-11-23-43(39)49(46(40)28-32)33-29-42-36-18-5-4-16-34(36)35-17-6-7-22-41(35)48(42)47(30-33)50-44-24-12-9-19-37(44)38-20-10-13-25-45(38)50/h1-30H.
What are the key properties of 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole?
9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole has a molecular weight of 634.78 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 163872533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).