7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine

C43H27N3 — CID 144856144

IUPAC7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccccc56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3/c1-2-10-28(11-3-1)29-18-22-32(23-19-29)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-31(21-25-33)40-35-14-6-8-16-38(35)44-42-34-13-5-4-12-30(34)26-27-37(40)42/h1-27H
InChIKeyDQEBMXWLGBPOFQ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine

7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine (PubChem CID 144856144) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine.

Molecular Properties

Compound Name7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
PubChem CID144856144
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccccc56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3/c1-2-10-28(11-3-1)29-18-22-32(23-19-29)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-31(21-25-33)40-35-14-6-8-16-38(35)44-42-34-13-5-4-12-30(34)26-27-37(40)42/h1-27H
InChIKeyDQEBMXWLGBPOFQ-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856150
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
7-phenyl-2-[4-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445853
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]phenanthridine
CID 155792781
13-(4-benzo[a]acridin-5-ylphenyl)-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;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine
CID 164999029
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine?
The IUPAC name of 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine (CID 144856144) is 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine.
What is the SMILES notation for 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine?
The canonical SMILES for 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccccc56)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine?
The InChIKey is DQEBMXWLGBPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-10-28(11-3-1)29-18-22-32(23-19-29)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-31(21-25-33)40-35-14-6-8-16-38(35)44-42-34-13-5-4-12-30(34)26-27-37(40)42/h1-27H.
What are the key properties of 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine?
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine is sourced from PubChem (CID 144856144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).