3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole

C51H35N3 — CID 139567233

IUPAC3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)cc4)cc3)c21
InChIInChI=1S/C51H35N3/c1-51(2)43-22-12-10-20-41(43)47-46(51)45(42-21-11-13-23-44(42)52-47)34-26-24-32(25-27-34)33-28-30-36(31-29-33)54-49-40-19-9-7-17-38(40)37-16-6-8-18-39(37)48(49)53-50(54)35-14-4-3-5-15-35/h3-31H,1-2H3
InChIKeyJGPUSGZWBOZEFL-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.19
Rot. Bonds4

About 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole

3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole (PubChem CID 139567233) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
PubChem CID139567233
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)cc4)cc3)c21
InChIInChI=1S/C51H35N3/c1-51(2)43-22-12-10-20-41(43)47-46(51)45(42-21-11-13-23-44(42)52-47)34-26-24-32(25-27-34)33-28-30-36(31-29-33)54-49-40-19-9-7-17-38(40)37-16-6-8-18-39(37)48(49)53-50(54)35-14-4-3-5-15-35/h3-31H,1-2H3
InChIKeyJGPUSGZWBOZEFL-UHFFFAOYSA-N
XLogP13.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole with MolForge

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770852
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567240
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372
24,24-dimethyl-3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593238
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 139567433
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439
11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole (CID 139567233) is 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)cc4)cc3)c21.
What is the InChIKey of 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The InChIKey is JGPUSGZWBOZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)43-22-12-10-20-41(43)47-46(51)45(42-21-11-13-23-44(42)52-47)34-26-24-32(25-27-34)33-28-30-36(31-29-33)54-49-40-19-9-7-17-38(40)37-16-6-8-18-39(37)48(49)53-50(54)35-14-4-3-5-15-35/h3-31H,1-2H3.
What are the key properties of 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole?
3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole has a molecular weight of 689.86 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 139567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).