12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

C66H43N3 — CID 176831309

IUPAC12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)ccc43)cc2)cc1
InChIInChI=1S/C66H43N3/c1-4-17-44(18-5-1)47-31-35-51(36-32-47)67-59-28-13-11-26-54(59)58-43-50(34-39-63(58)67)57-42-49(46-21-8-3-9-22-46)33-38-62(57)69-61-30-15-12-27-56(61)65-64(69)40-37-55-53-25-10-14-29-60(53)68(66(55)65)52-24-16-23-48(41-52)45-19-6-2-7-20-45/h1-43H
InChIKeyQOBNYCIWFDSNJM-UHFFFAOYSA-N
MW878.09 g/mol
LogP17.65
Rot. Bonds7

About 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 176831309) has the molecular formula C66H43N3 and a molecular weight of 878.09 g/mol. Its IUPAC name is 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID176831309
Molecular FormulaC66H43N3
Molecular Weight878.09 g/mol
Exact Mass877.35
IUPAC Name12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)ccc43)cc2)cc1
InChIInChI=1S/C66H43N3/c1-4-17-44(18-5-1)47-31-35-51(36-32-47)67-59-28-13-11-26-54(59)58-43-50(34-39-63(58)67)57-42-49(46-21-8-3-9-22-46)33-38-62(57)69-61-30-15-12-27-56(61)65-64(69)40-37-55-53-25-10-14-29-60(53)68(66(55)65)52-24-16-23-48(41-52)45-19-6-2-7-20-45/h1-43H
InChIKeyQOBNYCIWFDSNJM-UHFFFAOYSA-N
XLogP17.65
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463026
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (CID 176831309) is 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)ccc43)cc2)cc1.
What is the InChIKey of 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is QOBNYCIWFDSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3/c1-4-17-44(18-5-1)47-31-35-51(36-32-47)67-59-28-13-11-26-54(59)58-43-50(34-39-63(58)67)57-42-49(46-21-8-3-9-22-46)33-38-62(57)69-61-30-15-12-27-56(61)65-64(69)40-37-55-53-25-10-14-29-60(53)68(66(55)65)52-24-16-23-48(41-52)45-19-6-2-7-20-45/h1-43H.
What are the key properties of 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 878.09 g/mol, XLogP of 17.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 176831309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).