3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole

C48H34N2 — CID 145212544

IUPAC3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)CC(c2ccccc2)=C1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-46-27-24-36(34-15-6-2-7-16-34)30-43(46)44-31-37(25-28-47(44)50)38-23-26-42-41-21-10-11-22-45(41)49(48(42)32-38)39-18-8-3-9-19-39/h1-28,30-32,40H,29H2
InChIKeySNEOGZJNDWFUBJ-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.81
Rot. Bonds5

About 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole

3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole (PubChem CID 145212544) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
PubChem CID145212544
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)CC(c2ccccc2)=C1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-46-27-24-36(34-15-6-2-7-16-34)30-43(46)44-31-37(25-28-47(44)50)38-23-26-42-41-21-10-11-22-45(41)49(48(42)32-38)39-18-8-3-9-19-39/h1-28,30-32,40H,29H2
InChIKeySNEOGZJNDWFUBJ-UHFFFAOYSA-N
XLogP12.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-carbazol-9-yl-2-[5-(3-phenylcarbazol-9-yl)cyclohexa-1,3-dien-1-yl]benzonitrile
CID 163746431
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The IUPAC name of 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole (CID 145212544) is 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole.
What is the SMILES notation for 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The canonical SMILES for 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole is C1=CC(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)CC(c2ccccc2)=C1.
What is the InChIKey of 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The InChIKey is SNEOGZJNDWFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-46-27-24-36(34-15-6-2-7-16-34)30-43(46)44-31-37(25-28-47(44)50)38-23-26-42-41-21-10-11-22-45(41)49(48(42)32-38)39-18-8-3-9-19-39/h1-28,30-32,40H,29H2.
What are the key properties of 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole?
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole has a molecular weight of 638.81 g/mol, XLogP of 12.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole is sourced from PubChem (CID 145212544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).