5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole

C40H32N4 — CID 142607253

IUPAC5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-n2c1nc1cc(-n3c4c(c5cc6c7c(n(-c8ccccc8)c6cc53)C=CCC7)CCC=C4)ccc12
InChIInChI=1S/C40H32N4/c1-40(2)31-16-8-11-19-35(31)44-36-21-20-26(22-32(36)41-39(40)44)43-34-18-10-7-15-28(34)30-23-29-27-14-6-9-17-33(27)42(37(29)24-38(30)43)25-12-4-3-5-13-25/h3-5,8-13,16-24H,6-7,14-15H2,1-2H3
InChIKeyNCWYLANZWOTTIN-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.47
Rot. Bonds2

About 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole

5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole (PubChem CID 142607253) has the molecular formula C40H32N4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole
PubChem CID142607253
Molecular FormulaC40H32N4
Molecular Weight568.72 g/mol
Exact Mass568.26
IUPAC Name5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-n2c1nc1cc(-n3c4c(c5cc6c7c(n(-c8ccccc8)c6cc53)C=CCC7)CCC=C4)ccc12
InChIInChI=1S/C40H32N4/c1-40(2)31-16-8-11-19-35(31)44-36-21-20-26(22-32(36)41-39(40)44)43-34-18-10-7-15-28(34)30-23-29-27-14-6-9-17-33(27)42(37(29)24-38(30)43)25-12-4-3-5-13-25/h3-5,8-13,16-24H,6-7,14-15H2,1-2H3
InChIKeyNCWYLANZWOTTIN-UHFFFAOYSA-N
XLogP9.47
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 142397269
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812

Frequently Asked Questions

What is the IUPAC name of 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole?
The IUPAC name of 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole (CID 142607253) is 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole is CC1(C)c2ccccc2-n2c1nc1cc(-n3c4c(c5cc6c7c(n(-c8ccccc8)c6cc53)C=CCC7)CCC=C4)ccc12.
What is the InChIKey of 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole?
The InChIKey is NCWYLANZWOTTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4/c1-40(2)31-16-8-11-19-35(31)44-36-21-20-26(22-32(36)41-39(40)44)43-34-18-10-7-15-28(34)30-23-29-27-14-6-9-17-33(27)42(37(29)24-38(30)43)25-12-4-3-5-13-25/h3-5,8-13,16-24H,6-7,14-15H2,1-2H3.
What are the key properties of 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole?
5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole has a molecular weight of 568.72 g/mol, XLogP of 9.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 142607253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).