6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole

C48H32N2 — CID 121262585

IUPAC6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H32N2/c1-5-13-33(14-6-1)37-21-25-41-43-29-35(23-27-45(43)49(47(41)31-37)39-17-9-3-10-18-39)36-24-28-46-44(30-36)42-26-22-38(34-15-7-2-8-16-34)32-48(42)50(46)40-19-11-4-12-20-40/h1-32H
InChIKeyKUYLQWZIDOVFDJ-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole

6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole (PubChem CID 121262585) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole.

Molecular Properties

Compound Name6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
PubChem CID121262585
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H32N2/c1-5-13-33(14-6-1)37-21-25-41-43-29-35(23-27-45(43)49(47(41)31-37)39-17-9-3-10-18-39)36-24-28-46-44(30-36)42-26-22-38(34-15-7-2-8-16-34)32-48(42)50(46)40-19-11-4-12-20-40/h1-32H
InChIKeyKUYLQWZIDOVFDJ-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
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
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
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
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
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671

Frequently Asked Questions

What is the IUPAC name of 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole?
The IUPAC name of 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole (CID 121262585) is 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole.
What is the SMILES notation for 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole?
The canonical SMILES for 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole?
The InChIKey is KUYLQWZIDOVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-5-13-33(14-6-1)37-21-25-41-43-29-35(23-27-45(43)49(47(41)31-37)39-17-9-3-10-18-39)36-24-28-46-44(30-36)42-26-22-38(34-15-7-2-8-16-34)32-48(42)50(46)40-19-11-4-12-20-40/h1-32H.
What are the key properties of 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole?
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole is sourced from PubChem (CID 121262585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).