4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline

C41H25N5 — CID 122488950

IUPAC4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccnc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C41H25N5/c1-3-13-28(14-4-1)36-33-21-19-26-11-7-9-17-31(26)38(33)45-40(43-36)30-23-24-42-35(25-30)41-44-37(29-15-5-2-6-16-29)34-22-20-27-12-8-10-18-32(27)39(34)46-41/h1-25H
InChIKeyHMGYTPHDNKJXMY-UHFFFAOYSA-N
MW587.69 g/mol
LogP9.94
Rot. Bonds4

About 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline

4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline (PubChem CID 122488950) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
PubChem CID122488950
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccnc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C41H25N5/c1-3-13-28(14-4-1)36-33-21-19-26-11-7-9-17-31(26)38(33)45-40(43-36)30-23-24-42-35(25-30)41-44-37(29-15-5-2-6-16-29)34-22-20-27-12-8-10-18-32(27)39(34)46-41/h1-25H
InChIKeyHMGYTPHDNKJXMY-UHFFFAOYSA-N
XLogP9.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
CID 118552039
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
3-naphthalen-2-yl-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline;bis(2-naphthalen-2-yl-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline);3-naphthalen-2-yl-1-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[h]quinazoline
CID 160741572
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenylbenzo[h]quinazoline
CID 155473733
2-[3-(6-naphthalen-1-yl-3-pyridinyl)-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 118552233
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 163701892
6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176818985
6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819141
9-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 155364563
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline?
The IUPAC name of 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline (CID 122488950) is 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline.
What is the SMILES notation for 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline?
The canonical SMILES for 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline is c1ccc(-c2nc(-c3ccnc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline?
The InChIKey is HMGYTPHDNKJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-3-13-28(14-4-1)36-33-21-19-26-11-7-9-17-31(26)38(33)45-40(43-36)30-23-24-42-35(25-30)41-44-37(29-15-5-2-6-16-29)34-22-20-27-12-8-10-18-32(27)39(34)46-41/h1-25H.
What are the key properties of 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline?
4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline has a molecular weight of 587.69 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline is sourced from PubChem (CID 122488950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).