7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole

C54H35N3 — CID 146368712

IUPAC7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)37-28-31-41(32-29-37)57-48-27-15-12-24-44(48)54-51(57)35-50-53(43-23-11-14-26-47(43)56(50)40-20-8-3-9-21-40)52(54)38-30-33-49-45(34-38)42-22-10-13-25-46(42)55(49)39-18-6-2-7-19-39/h1-35H
InChIKeyKTMHHHLPPZCYRN-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole

7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 146368712) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
PubChem CID146368712
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)37-28-31-41(32-29-37)57-48-27-15-12-24-44(48)54-51(57)35-50-53(43-23-11-14-26-47(43)56(50)40-20-8-3-9-21-40)52(54)38-30-33-49-45(34-38)42-22-10-13-25-46(42)55(49)39-18-6-2-7-19-39/h1-35H
InChIKeyKTMHHHLPPZCYRN-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 126682013
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CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
4-methyl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 148666975
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole (CID 146368712) is 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1.
What is the InChIKey of 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The InChIKey is KTMHHHLPPZCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-16-36(17-5-1)37-28-31-41(32-29-37)57-48-27-15-12-24-44(48)54-51(57)35-50-53(43-23-11-14-26-47(43)56(50)40-20-8-3-9-21-40)52(54)38-30-33-49-45(34-38)42-22-10-13-25-46(42)55(49)39-18-6-2-7-19-39/h1-35H.
What are the key properties of 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 146368712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).