2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline

C24H15ClN2 — CID 163453888

IUPAC2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
SMILESClc1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C24H15ClN2/c25-19-13-10-18(11-14-19)24-26-22(17-7-2-1-3-8-17)21-15-12-16-6-4-5-9-20(16)23(21)27-24/h1-15H
InChIKeyBIVGUOSUEDPMQW-UHFFFAOYSA-N
MW366.85 g/mol
LogP6.77
Rot. Bonds2

About 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline

2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline (PubChem CID 163453888) has the molecular formula C24H15ClN2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
PubChem CID163453888
Molecular FormulaC24H15ClN2
Molecular Weight366.85 g/mol
Exact Mass366.09
IUPAC Name2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
SMILESClc1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C24H15ClN2/c25-19-13-10-18(11-14-19)24-26-22(17-7-2-1-3-8-17)21-15-12-16-6-4-5-9-20(16)23(21)27-24/h1-15H
InChIKeyBIVGUOSUEDPMQW-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 56.77
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

6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]phenanthridine
CID 155792781
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
CID 122488950
12-[4-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-3,20-dioxa-11-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 170063919
2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 122497128
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610
7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856150
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
CID 148557011
2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenylbenzo[h]quinazoline
CID 155473733
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
CID 155792510

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline (CID 163453888) is 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline is Clc1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline?
The InChIKey is BIVGUOSUEDPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2/c25-19-13-10-18(11-14-19)24-26-22(17-7-2-1-3-8-17)21-15-12-16-6-4-5-9-20(16)23(21)27-24/h1-15H.
What are the key properties of 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline?
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline has a molecular weight of 366.85 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 163453888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).