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

C54H36N2 — CID 165386007

IUPAC9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-50-29-11-9-26-46(50)49-36-41(32-33-52(49)55)44-24-7-8-25-45(44)47-28-15-31-53-54(47)48-27-10-12-30-51(48)56(53)43-23-14-21-40(35-43)38-18-5-2-6-19-38/h1-36H
InChIKeyNGSSFIUDIYWHGZ-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

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

9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole (PubChem CID 165386007) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
PubChem CID165386007
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-50-29-11-9-26-46(50)49-36-41(32-33-52(49)55)44-24-7-8-25-45(44)47-28-15-31-53-54(47)48-27-10-12-30-51(48)56(53)43-23-14-21-40(35-43)38-18-5-2-6-19-38/h1-36H
InChIKeyNGSSFIUDIYWHGZ-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

4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
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
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
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
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
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
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole (CID 165386007) is 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
The InChIKey is NGSSFIUDIYWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-16-37(17-4-1)39-20-13-22-42(34-39)55-50-29-11-9-26-46(50)49-36-41(32-33-52(49)55)44-24-7-8-25-45(44)47-28-15-31-53-54(47)48-27-10-12-30-51(48)56(53)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)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole?
9-(3-phenylphenyl)-3-[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)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole is sourced from PubChem (CID 165386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).