4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole

C48H32N2 — CID 164821252

IUPAC4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)34-28-30-35(31-29-34)36-16-11-19-38(32-36)49-45-26-10-8-21-43(45)47-40(22-13-27-46(47)49)42-24-12-23-41-39-20-7-9-25-44(39)50(48(41)42)37-17-5-2-6-18-37/h1-32H
InChIKeyKOIARDVVJYHGHQ-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole

4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole (PubChem CID 164821252) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
PubChem CID164821252
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)34-28-30-35(31-29-34)36-16-11-19-38(32-36)49-45-26-10-8-21-43(45)47-40(22-13-27-46(47)49)42-24-12-23-41-39-20-7-9-25-44(39)50(48(41)42)37-17-5-2-6-18-37/h1-32H
InChIKeyKOIARDVVJYHGHQ-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-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole (CID 164821252) is 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)cc2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is KOIARDVVJYHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-33(15-4-1)34-28-30-35(31-29-34)36-16-11-19-38(32-36)49-45-26-10-8-21-43(45)47-40(22-13-27-46(47)49)42-24-12-23-41-39-20-7-9-25-44(39)50(48(41)42)37-17-5-2-6-18-37/h1-32H.
What are the key properties of 4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole?
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)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-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 164821252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).