3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole

C48H30N2 — CID 146270951

IUPAC3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C48H30N2/c1-2-13-32(14-3-1)49-45-23-11-9-20-41(45)48-34(21-12-24-47(48)49)31-25-28-46-43(29-31)40-19-8-10-22-44(40)50(46)33-26-27-39-37-17-5-4-15-35(37)36-16-6-7-18-38(36)42(39)30-33/h1-30H
InChIKeyJVHVANRGLCLAIB-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole

3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 146270951) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
PubChem CID146270951
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C48H30N2/c1-2-13-32(14-3-1)49-45-23-11-9-20-41(45)48-34(21-12-24-47(48)49)31-25-28-46-43(29-31)40-19-8-10-22-44(40)50(46)33-26-27-39-37-17-5-4-15-35(37)36-16-6-7-18-38(36)42(39)30-33/h1-30H
InChIKeyJVHVANRGLCLAIB-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

9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
triphenyl-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole (CID 146270951) is 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole?
The InChIKey is JVHVANRGLCLAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-13-32(14-3-1)49-45-23-11-9-20-41(45)48-34(21-12-24-47(48)49)31-25-28-46-43(29-31)40-19-8-10-22-44(40)50(46)33-26-27-39-37-17-5-4-15-35(37)36-16-6-7-18-38(36)42(39)30-33/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole?
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole 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 3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 146270951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).