12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole

C52H37N3 — CID 90324779

IUPAC12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3c21
InChIInChI=1S/C52H37N3/c1-52(2)45-33-38(35-16-8-4-9-17-35)24-28-41(45)42-29-30-43-44-32-37(34-14-6-3-7-15-34)25-31-47(44)54(50(43)49(42)52)40-26-22-36(23-27-40)51-53-46-20-12-13-21-48(46)55(51)39-18-10-5-11-19-39/h3-33H,1-2H3
InChIKeyMLMVRFWVTSVZMR-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.43
Rot. Bonds5

About 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole

12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole (PubChem CID 90324779) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
PubChem CID90324779
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3c21
InChIInChI=1S/C52H37N3/c1-52(2)45-33-38(35-16-8-4-9-17-35)24-28-41(45)42-29-30-43-44-32-37(34-14-6-3-7-15-34)25-31-47(44)54(50(43)49(42)52)40-26-22-36(23-27-40)51-53-46-20-12-13-21-48(46)55(51)39-18-10-5-11-19-39/h3-33H,1-2H3
InChIKeyMLMVRFWVTSVZMR-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-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]phenyl]-1-phenylbenzimidazole
CID 58411779
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole (CID 90324779) is 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3c21.
What is the InChIKey of 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole?
The InChIKey is MLMVRFWVTSVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)45-33-38(35-16-8-4-9-17-35)24-28-41(45)42-29-30-43-44-32-37(34-14-6-3-7-15-34)25-31-47(44)54(50(43)49(42)52)40-26-22-36(23-27-40)51-53-46-20-12-13-21-48(46)55(51)39-18-10-5-11-19-39/h3-33H,1-2H3.
What are the key properties of 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole?
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole has a molecular weight of 703.89 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole is sourced from PubChem (CID 90324779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).