1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole

C54H37N — CID 160788442

IUPAC1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N/c1-6-18-38(19-7-1)42-30-43(39-20-8-2-9-21-39)33-46(32-42)47-36-51(54-52(37-47)50-28-16-17-29-53(50)55(54)49-26-14-5-15-27-49)48-34-44(40-22-10-3-11-23-40)31-45(35-48)41-24-12-4-13-25-41/h1-37H
InChIKeySBNGRPTVSMTFDY-UHFFFAOYSA-N
MW699.90 g/mol
LogP14.79
Rot. Bonds7

About 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole

1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole (PubChem CID 160788442) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
PubChem CID160788442
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N/c1-6-18-38(19-7-1)42-30-43(39-20-8-2-9-21-39)33-46(32-42)47-36-51(54-52(37-47)50-28-16-17-29-53(50)55(54)49-26-14-5-15-27-49)48-34-44(40-22-10-3-11-23-40)31-45(35-48)41-24-12-4-13-25-41/h1-37H
InChIKeySBNGRPTVSMTFDY-UHFFFAOYSA-N
XLogP14.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
CID 139311565
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole?
The IUPAC name of 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole (CID 160788442) is 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole?
The canonical SMILES for 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole?
The InChIKey is SBNGRPTVSMTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-6-18-38(19-7-1)42-30-43(39-20-8-2-9-21-39)33-46(32-42)47-36-51(54-52(37-47)50-28-16-17-29-53(50)55(54)49-26-14-5-15-27-49)48-34-44(40-22-10-3-11-23-40)31-45(35-48)41-24-12-4-13-25-41/h1-37H.
What are the key properties of 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole?
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole has a molecular weight of 699.90 g/mol, XLogP of 14.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 160788442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).