11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole

C34H24N2 — CID 162483997

IUPAC11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccccc2-n2c1nc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12
InChIInChI=1S/C34H24N2/c1-34(2)29-15-7-8-16-30(29)36-31-17-9-14-22(32(31)35-33(34)36)21-18-19-27-25-12-4-3-10-23(25)24-11-5-6-13-26(24)28(27)20-21/h3-20H,1-2H3
InChIKeyZPUUJKPZTWKDCV-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.79
Rot. Bonds1

About 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole

11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole (PubChem CID 162483997) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole
PubChem CID162483997
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccccc2-n2c1nc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12
InChIInChI=1S/C34H24N2/c1-34(2)29-15-7-8-16-30(29)36-31-17-9-14-22(32(31)35-33(34)36)21-18-19-27-25-12-4-3-10-23(25)24-11-5-6-13-26(24)28(27)20-21/h3-20H,1-2H3
InChIKeyZPUUJKPZTWKDCV-UHFFFAOYSA-N
XLogP8.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

13,13-dimethyl-5-naphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892852
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11,11-dimethylindolo[1,2-a]benzimidazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11,11-dimethylindolo[1,2-a]benzimidazole;8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,11-dimethylindolo[1,2-a]benzimidazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,11-dimethylindolo[1,2-a]benzimidazole
CID 163735351
13,13-dimethyl-5,10-dinaphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70893315
13,13-dimethyl-5-[2-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70893107
11,11-dimethyl-9-[4-(3-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]indolo[1,2-a]benzimidazole
CID 142607211
6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606953
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
10-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 123456756
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
13,13-dimethyl-5,10-bis(4-phenylnaphthalen-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892990
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146494736

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole?
The IUPAC name of 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole (CID 162483997) is 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole is CC1(C)c2ccccc2-n2c1nc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12.
What is the InChIKey of 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole?
The InChIKey is ZPUUJKPZTWKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-34(2)29-15-7-8-16-30(29)36-31-17-9-14-22(32(31)35-33(34)36)21-18-19-27-25-12-4-3-10-23(25)24-11-5-6-13-26(24)28(27)20-21/h3-20H,1-2H3.
What are the key properties of 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole?
11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole has a molecular weight of 460.58 g/mol, XLogP of 8.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-9-triphenylen-2-ylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 162483997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).