9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole

C48H32N2 — CID 138474938

IUPAC9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-16-33(17-4-1)35-20-13-21-36(32-35)49-43-28-11-8-23-40(43)47-38(25-14-30-45(47)49)39-26-15-31-46-48(39)41-24-9-12-29-44(41)50(46)42-27-10-7-22-37(42)34-18-5-2-6-19-34/h1-32H
InChIKeySJRIYHXVMMWGGT-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole

9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole (PubChem CID 138474938) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
PubChem CID138474938
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-16-33(17-4-1)35-20-13-21-36(32-35)49-43-28-11-8-23-40(43)47-38(25-14-30-45(47)49)39-26-15-31-46-48(39)41-24-9-12-29-44(41)50(46)42-27-10-7-22-37(42)34-18-5-2-6-19-34/h1-32H
InChIKeySJRIYHXVMMWGGT-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

4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The IUPAC name of 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole (CID 138474938) is 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The InChIKey is SJRIYHXVMMWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-16-33(17-4-1)35-20-13-21-36(32-35)49-43-28-11-8-23-40(43)47-38(25-14-30-45(47)49)39-26-15-31-46-48(39)41-24-9-12-29-44(41)50(46)42-27-10-7-22-37(42)34-18-5-2-6-19-34/h1-32H.
What are the key properties of 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]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 9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 138474938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).