12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole

C58H39N3O — CID 156574722

IUPAC12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)ccc(-c6nc7ccccc7n6-c6ccccc6)c45)c3c21
InChIInChI=1S/C58H39N3O/c1-58(2)47-23-11-9-20-41(47)43-33-34-44-42-21-10-13-25-49(42)61(54(44)53(43)58)51-27-15-22-45-52-46(57-59-48-24-12-14-26-50(48)60(57)39-18-7-4-8-19-39)35-32-40(56(52)62-55(45)51)38-30-28-37(29-31-38)36-16-5-3-6-17-36/h3-35H,1-2H3
InChIKeyKOLJBLKLCLLUMO-UHFFFAOYSA-N
MW793.97 g/mol
LogP15.33
Rot. Bonds5

About 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole

12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole (PubChem CID 156574722) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole
PubChem CID156574722
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC Name12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)ccc(-c6nc7ccccc7n6-c6ccccc6)c45)c3c21
InChIInChI=1S/C58H39N3O/c1-58(2)47-23-11-9-20-41(47)43-33-34-44-42-21-10-13-25-49(42)61(54(44)53(43)58)51-27-15-22-45-52-46(57-59-48-24-12-14-26-50(48)60(57)39-18-7-4-8-19-39)35-32-40(56(52)62-55(45)51)38-30-28-37(29-31-38)36-16-5-3-6-17-36/h3-35H,1-2H3
InChIKeyKOLJBLKLCLLUMO-UHFFFAOYSA-N
XLogP15.33
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
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
7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 158726183
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
12-[6-dibenzofuran-2-yl-9-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574801
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole (CID 156574722) is 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)ccc(-c6nc7ccccc7n6-c6ccccc6)c45)c3c21.
What is the InChIKey of 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The InChIKey is KOLJBLKLCLLUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O/c1-58(2)47-23-11-9-20-41(47)43-33-34-44-42-21-10-13-25-49(42)61(54(44)53(43)58)51-27-15-22-45-52-46(57-59-48-24-12-14-26-50(48)60(57)39-18-7-4-8-19-39)35-32-40(56(52)62-55(45)51)38-30-28-37(29-31-38)36-16-5-3-6-17-36/h3-35H,1-2H3.
What are the key properties of 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole has a molecular weight of 793.97 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 156574722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).