8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole

C55H39N3 — CID 91235557

IUPAC8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESCc1ccccc1-n1c2ccc(-n3c4c(c5ccccc53)=CCCC=4)cc2c2cc3c(cc21)c1ccc(-c2cccc(-c4ccccc4)c2)cc1n3-c1ccccc1
InChIInChI=1S/C55H39N3/c1-36-15-8-11-24-49(36)58-52-30-28-42(57-50-25-12-9-22-43(50)44-23-10-13-26-51(44)57)33-46(52)48-35-54-47(34-55(48)58)45-29-27-40(32-53(45)56(54)41-20-6-3-7-21-41)39-19-14-18-38(31-39)37-16-4-2-5-17-37/h2-9,11-12,14-35H,10,13H2,1H3
InChIKeyWGLJETRLAPLCQL-UHFFFAOYSA-N
MW741.94 g/mol
LogP12.82
Rot. Bonds5

About 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole

8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 91235557) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID91235557
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Name8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESCc1ccccc1-n1c2ccc(-n3c4c(c5ccccc53)=CCCC=4)cc2c2cc3c(cc21)c1ccc(-c2cccc(-c4ccccc4)c2)cc1n3-c1ccccc1
InChIInChI=1S/C55H39N3/c1-36-15-8-11-24-49(36)58-52-30-28-42(57-50-25-12-9-22-43(50)44-23-10-13-26-51(44)57)33-46(52)48-35-54-47(34-55(48)58)45-29-27-40(32-53(45)56(54)41-20-6-3-7-21-41)39-19-14-18-38(31-39)37-16-4-2-5-17-37/h2-9,11-12,14-35H,10,13H2,1H3
InChIKeyWGLJETRLAPLCQL-UHFFFAOYSA-N
XLogP12.82
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 166922681
9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 163995412
3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 144943040
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole (CID 91235557) is 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole is Cc1ccccc1-n1c2ccc(-n3c4c(c5ccccc53)=CCCC=4)cc2c2cc3c(cc21)c1ccc(-c2cccc(-c4ccccc4)c2)cc1n3-c1ccccc1.
What is the InChIKey of 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is WGLJETRLAPLCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-36-15-8-11-24-49(36)58-52-30-28-42(57-50-25-12-9-22-43(50)44-23-10-13-26-51(44)57)33-46(52)48-35-54-47(34-55(48)58)45-29-27-40(32-53(45)56(54)41-20-6-3-7-21-41)39-19-14-18-38(31-39)37-16-4-2-5-17-37/h2-9,11-12,14-35H,10,13H2,1H3.
What are the key properties of 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole?
8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole has a molecular weight of 741.94 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 91235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).