5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

C54H34N2 — CID 134369810

IUPAC5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2/c1-3-14-35(15-4-1)40-23-13-25-53-54(40)49-33-37(27-31-52(49)55(53)38-16-5-2-6-17-38)36-26-30-51-48(32-36)46-22-11-12-24-50(46)56(51)39-28-29-45-43-20-8-7-18-41(43)42-19-9-10-21-44(42)47(45)34-39/h1-34H
InChIKeyNJELSGVFWBSUEE-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.67
Rot. Bonds4

About 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (PubChem CID 134369810) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
PubChem CID134369810
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2/c1-3-14-35(15-4-1)40-23-13-25-53-54(40)49-33-37(27-31-52(49)55(53)38-16-5-2-6-17-38)36-26-30-51-48(32-36)46-22-11-12-24-50(46)56(51)39-28-29-45-43-20-8-7-18-41(43)42-19-9-10-21-44(42)47(45)34-39/h1-34H
InChIKeyNJELSGVFWBSUEE-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.67
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

5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
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
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
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
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (CID 134369810) is 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is c1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The InChIKey is NJELSGVFWBSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-14-35(15-4-1)40-23-13-25-53-54(40)49-33-37(27-31-52(49)55(53)38-16-5-2-6-17-38)36-26-30-51-48(32-36)46-22-11-12-24-50(46)56(51)39-28-29-45-43-20-8-7-18-41(43)42-19-9-10-21-44(42)47(45)34-39/h1-34H.
What are the key properties of 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).