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

C54H36N2 — CID 165386103

IUPAC9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-51-30-12-10-27-49(51)54-48(28-15-31-52(54)55)45-25-8-7-24-44(45)41-32-33-47-46-26-9-11-29-50(46)56(53(47)36-41)43-23-14-21-40(35-43)38-18-5-2-6-19-38/h1-36H
InChIKeyXMBXEDROQTUEMW-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

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

9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole (PubChem CID 165386103) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
PubChem CID165386103
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-51-30-12-10-27-49(51)54-48(28-15-31-52(54)55)45-25-8-7-24-44(45)41-32-33-47-46-26-9-11-29-50(46)56(53(47)36-41)43-23-14-21-40(35-43)38-18-5-2-6-19-38/h1-36H
InChIKeyXMBXEDROQTUEMW-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)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
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-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
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

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole (CID 165386103) is 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc43)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The InChIKey is XMBXEDROQTUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-51-30-12-10-27-49(51)54-48(28-15-31-52(54)55)45-25-8-7-24-44(45)41-32-33-47-46-26-9-11-29-50(46)56(53(47)36-41)43-23-14-21-40(35-43)38-18-5-2-6-19-38/h1-36H.
What are the key properties of 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]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 9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole is sourced from PubChem (CID 165386103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).