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

C54H36N2 — CID 165386054

IUPAC4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)c(-c8ccccc8)c7)c6c5)cccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-16-37(17-5-1)40-22-14-23-42(34-40)55-51-28-13-11-25-48(51)54-45(26-15-29-52(54)55)41-30-32-47-46-24-10-12-27-50(46)56(53(47)35-41)43-31-33-44(38-18-6-2-7-19-38)49(36-43)39-20-8-3-9-21-39/h1-36H
InChIKeySIZMAFJENALODI-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

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

4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 165386054) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
PubChem CID165386054
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)c(-c8ccccc8)c7)c6c5)cccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-16-37(17-5-1)40-22-14-23-42(34-40)55-51-28-13-11-25-48(51)54-45(26-15-29-52(54)55)41-30-32-47-46-24-10-12-27-50(46)56(53(47)35-41)43-31-33-44(38-18-6-2-7-19-38)49(36-43)39-20-8-3-9-21-39/h1-36H
InChIKeySIZMAFJENALODI-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
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
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123
9,14-bis(3-phenylphenyl)-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;9-phenyl-14-[3-(2-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;9-phenyl-14-[4-(2-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;9-(4-phenylphenyl)-14-[4-(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
CID 167707208
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole (CID 165386054) is 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)c(-c8ccccc8)c7)c6c5)cccc43)c2)cc1.
What is the InChIKey of 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is SIZMAFJENALODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-16-37(17-5-1)40-22-14-23-42(34-40)55-51-28-13-11-25-48(51)54-45(26-15-29-52(54)55)41-30-32-47-46-24-10-12-27-50(46)56(53(47)35-41)43-31-33-44(38-18-6-2-7-19-38)49(36-43)39-20-8-3-9-21-39/h1-36H.
What are the key properties of 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 165386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).