1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole

C49H38N2 — CID 90068469

IUPAC1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
SMILESCC1(C)C2=C(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc31)C(C)(C)c1cc(-c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C49H38N2/c1-48(2)41-29-36(32-18-21-33(22-19-32)47-50-43-16-10-11-17-44(43)51(47)38-14-6-5-7-15-38)24-26-39(41)45-46(48)40-27-25-37(30-42(40)49(45,3)4)35-23-20-31-12-8-9-13-34(31)28-35/h5-30H,1-4H3
InChIKeyNPWPWVIDFCNPEC-UHFFFAOYSA-N
MW654.86 g/mol
LogP12.67
Rot. Bonds4

About 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole

1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole (PubChem CID 90068469) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
PubChem CID90068469
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC Name1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
SMILESCC1(C)C2=C(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc31)C(C)(C)c1cc(-c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C49H38N2/c1-48(2)41-29-36(32-18-21-33(22-19-32)47-50-43-16-10-11-17-44(43)51(47)38-14-6-5-7-15-38)24-26-39(41)45-46(48)40-27-25-37(30-42(40)49(45,3)4)35-23-20-31-12-8-9-13-34(31)28-35/h5-30H,1-4H3
InChIKeyNPWPWVIDFCNPEC-UHFFFAOYSA-N
XLogP12.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
CID 143828997
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-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 58412005
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
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
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole
CID 163929471
CID 59844167
CID 59844167
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole (CID 90068469) is 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole is CC1(C)C2=C(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc31)C(C)(C)c1cc(-c3ccc4ccccc4c3)ccc12.
What is the InChIKey of 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole?
The InChIKey is NPWPWVIDFCNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-48(2)41-29-36(32-18-21-33(22-19-32)47-50-43-16-10-11-17-44(43)51(47)38-14-6-5-7-15-38)24-26-39(41)45-46(48)40-27-25-37(30-42(40)49(45,3)4)35-23-20-31-12-8-9-13-34(31)28-35/h5-30H,1-4H3.
What are the key properties of 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole?
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole has a molecular weight of 654.86 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole is sourced from PubChem (CID 90068469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).