4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole

C48H32N2 — CID 166037163

IUPAC4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)38-22-14-28-46-48(38)41-21-9-12-26-44(41)50(46)42-24-10-7-19-37(42)34-29-31-35(32-30-34)39-23-13-27-45-47(39)40-20-8-11-25-43(40)49(45)36-17-5-2-6-18-36/h1-32H
InChIKeyUVNAMEKFULJUFL-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole

4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole (PubChem CID 166037163) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
PubChem CID166037163
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)38-22-14-28-46-48(38)41-21-9-12-26-44(41)50(46)42-24-10-7-19-37(42)34-29-31-35(32-30-34)39-23-13-27-45-47(39)40-20-8-11-25-43(40)49(45)36-17-5-2-6-18-36/h1-32H
InChIKeyUVNAMEKFULJUFL-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

9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
9-phenyl-4-[4-[(4-phenylphenyl)methyl]phenyl]carbazole
CID 164569086
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
9,14-bis[2-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063693
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole (CID 166037163) is 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The InChIKey is UVNAMEKFULJUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-15-33(16-4-1)38-22-14-28-46-48(38)41-21-9-12-26-44(41)50(46)42-24-10-7-19-37(42)34-29-31-35(32-30-34)39-23-13-27-45-47(39)40-20-8-11-25-43(40)49(45)36-17-5-2-6-18-36/h1-32H.
What are the key properties of 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]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 4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166037163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).