11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine

C53H35N — CID 164805892

IUPAC11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5nc6ccc7ccccc7c6cc45)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C53H35N/c1-5-16-36(17-6-1)45-34-46(52(41-21-9-3-10-22-41)53(42-23-11-4-12-24-42)51(45)40-19-7-2-8-20-40)39-30-28-38(29-31-39)44-26-15-27-49-47(44)35-48-43-25-14-13-18-37(43)32-33-50(48)54-49/h1-35H
InChIKeyDGYURYCZMAGYMA-UHFFFAOYSA-N
MW685.87 g/mol
LogP14.54
Rot. Bonds6

About 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine

11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine (PubChem CID 164805892) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine.

Molecular Properties

Compound Name11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine
PubChem CID164805892
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC Name11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5nc6ccc7ccccc7c6cc45)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C53H35N/c1-5-16-36(17-6-1)45-34-46(52(41-21-9-3-10-22-41)53(42-23-11-4-12-24-42)51(45)40-19-7-2-8-20-40)39-30-28-38(29-31-39)44-26-15-27-49-47(44)35-48-43-25-14-13-18-37(43)32-33-50(48)54-49/h1-35H
InChIKeyDGYURYCZMAGYMA-UHFFFAOYSA-N
XLogP14.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-phenylbenzo[a]anthracene
CID 123665695
13-[4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445559
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
1-naphthalen-2-ylacridine
CID 91364116
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140529722
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
1,4,5,8-tetradeuterio-9-(4-phenanthren-1-ylphenyl)-10-phenylanthracene
CID 170654170
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine?
The IUPAC name of 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine (CID 164805892) is 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine.
What is the SMILES notation for 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine?
The canonical SMILES for 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine is c1ccc(-c2cc(-c3ccc(-c4cccc5nc6ccc7ccccc7c6cc45)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine?
The InChIKey is DGYURYCZMAGYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-5-16-36(17-6-1)45-34-46(52(41-21-9-3-10-22-41)53(42-23-11-4-12-24-42)51(45)40-19-7-2-8-20-40)39-30-28-38(29-31-39)44-26-15-27-49-47(44)35-48-43-25-14-13-18-37(43)32-33-50(48)54-49/h1-35H.
What are the key properties of 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine?
11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine has a molecular weight of 685.87 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine is sourced from PubChem (CID 164805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).