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

C48H34N2 — CID 145264899

IUPAC9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
SMILESC1=C(c2ccccc2)C=C(c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-15-12-16-35(29-34)38-23-26-42-44-31-37(25-28-47(44)50(48(42)32-38)40-19-8-3-9-20-40)36-24-27-46-43(30-36)41-21-10-11-22-45(41)49(46)39-17-6-2-7-18-39/h1-11,13-15,17-32H,12,16H2
InChIKeyLOOSGFYCIPYQIB-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.81
Rot. Bonds5

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

9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 145264899) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
PubChem CID145264899
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
SMILESC1=C(c2ccccc2)C=C(c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-15-12-16-35(29-34)38-23-26-42-44-31-37(25-28-47(44)50(48(42)32-38)40-19-8-3-9-20-40)36-24-27-46-43(30-36)41-21-10-11-22-45(41)49(46)39-17-6-2-7-18-39/h1-11,13-15,17-32H,12,16H2
InChIKeyLOOSGFYCIPYQIB-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
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole
CID 163752070
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
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 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The IUPAC name of 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole (CID 145264899) is 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole.
What is the SMILES notation for 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The canonical SMILES for 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole is C1=C(c2ccccc2)C=C(c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)CC1.
What is the InChIKey of 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The InChIKey is LOOSGFYCIPYQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-15-12-16-35(29-34)38-23-26-42-44-31-37(25-28-47(44)50(48(42)32-38)40-19-8-3-9-20-40)36-24-27-46-43(30-36)41-21-10-11-22-45(41)49(46)39-17-6-2-7-18-39/h1-11,13-15,17-32H,12,16H2.
What are the key properties of 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole?
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-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 9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 145264899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).