3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole

C48H32N2 — CID 118084405

IUPAC3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-23-28-46-43(30-36)44-31-37(34-14-6-2-7-15-34)24-29-47(44)49(46)40-25-20-35(21-26-40)38-22-27-42-41-18-10-11-19-45(41)50(48(42)32-38)39-16-8-3-9-17-39/h1-32H
InChIKeyOSPFJTSNSWOWRD-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole

3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (PubChem CID 118084405) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
PubChem CID118084405
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-23-28-46-43(30-36)44-31-37(34-14-6-2-7-15-34)24-29-47(44)49(46)40-25-20-35(21-26-40)38-22-27-42-41-18-10-11-19-45(41)50(48(42)32-38)39-16-8-3-9-17-39/h1-32H
InChIKeyOSPFJTSNSWOWRD-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

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
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
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
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
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
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
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (CID 118084405) is 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The InChIKey is OSPFJTSNSWOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-23-28-46-43(30-36)44-31-37(34-14-6-2-7-15-34)24-29-47(44)49(46)40-25-20-35(21-26-40)38-22-27-42-41-18-10-11-19-45(41)50(48(42)32-38)39-16-8-3-9-17-39/h1-32H.
What are the key properties of 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole 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 3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118084405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).