10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole

C36H27N3 — CID 70911980

IUPAC10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole
SMILESCC1(C)c2ccccc2-n2c1c(-c1ccccc1)c1cc(-c3nc4ccccc4n3-c3ccccc3)ccc12
InChIInChI=1S/C36H27N3/c1-36(2)28-17-9-11-19-31(28)39-30-22-21-25(23-27(30)33(34(36)39)24-13-5-3-6-14-24)35-37-29-18-10-12-20-32(29)38(35)26-15-7-4-8-16-26/h3-23H,1-2H3
InChIKeySQFGWQKAJXDEEE-UHFFFAOYSA-N
MW501.63 g/mol
LogP8.94
Rot. Bonds3

About 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole

10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole (PubChem CID 70911980) has the molecular formula C36H27N3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole.

Molecular Properties

Compound Name10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole
PubChem CID70911980
Molecular FormulaC36H27N3
Molecular Weight501.63 g/mol
Exact Mass501.22
IUPAC Name10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole
SMILESCC1(C)c2ccccc2-n2c1c(-c1ccccc1)c1cc(-c3nc4ccccc4n3-c3ccccc3)ccc12
InChIInChI=1S/C36H27N3/c1-36(2)28-17-9-11-19-31(28)39-30-22-21-25(23-27(30)33(34(36)39)24-13-5-3-6-14-24)35-37-29-18-10-12-20-32(29)38(35)26-15-7-4-8-16-26/h3-23H,1-2H3
InChIKeySQFGWQKAJXDEEE-UHFFFAOYSA-N
XLogP8.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
CID 70911908
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
CID 71007109
[3-(10,10-dimethyl-11-phenylindolo[1,2-a]indol-2-yl)phenyl]-(3-phenylphenyl)methanone
CID 70911979
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole?
The IUPAC name of 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole (CID 70911980) is 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole.
What is the SMILES notation for 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole?
The canonical SMILES for 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole is CC1(C)c2ccccc2-n2c1c(-c1ccccc1)c1cc(-c3nc4ccccc4n3-c3ccccc3)ccc12.
What is the InChIKey of 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole?
The InChIKey is SQFGWQKAJXDEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3/c1-36(2)28-17-9-11-19-31(28)39-30-22-21-25(23-27(30)33(34(36)39)24-13-5-3-6-14-24)35-37-29-18-10-12-20-32(29)38(35)26-15-7-4-8-16-26/h3-23H,1-2H3.
What are the key properties of 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole?
10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole has a molecular weight of 501.63 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole is sourced from PubChem (CID 70911980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).