2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline

C28H17BrN2 — CID 118529368

IUPAC2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
SMILESBrc1ccc(-c2nc(-c3cccc4ccccc34)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C28H17BrN2/c29-21-15-12-20(13-16-21)28-30-26-23-10-4-2-7-19(23)14-17-25(26)27(31-28)24-11-5-8-18-6-1-3-9-22(18)24/h1-17H
InChIKeyQMMRZXNLURFVMI-UHFFFAOYSA-N
MW461.36 g/mol
LogP8.03
Rot. Bonds2

About 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline

2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline (PubChem CID 118529368) has the molecular formula C28H17BrN2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
PubChem CID118529368
Molecular FormulaC28H17BrN2
Molecular Weight461.36 g/mol
Exact Mass460.06
IUPAC Name2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
SMILESBrc1ccc(-c2nc(-c3cccc4ccccc34)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C28H17BrN2/c29-21-15-12-20(13-16-21)28-30-26-23-10-4-2-7-19(23)14-17-25(26)27(31-28)24-11-5-8-18-6-1-3-9-22(18)24/h1-17H
InChIKeyQMMRZXNLURFVMI-UHFFFAOYSA-N
XLogP8.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 58.03
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

4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline
CID 146261931
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole
CID 144661189
2-(4-bromophenyl)-4-phenylbenzo[h]quinazoline;4-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159017724
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)benzo[h]quinazoline;2-naphthalen-1-yl-4-naphthalen-2-ylbenzo[h]quinazoline
CID 161428750
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 163701892
2-naphthalen-1-ylanthracene
CID 2748705

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline (CID 118529368) is 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline is Brc1ccc(-c2nc(-c3cccc4ccccc34)c3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline?
The InChIKey is QMMRZXNLURFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrN2/c29-21-15-12-20(13-16-21)28-30-26-23-10-4-2-7-19(23)14-17-25(26)27(31-28)24-11-5-8-18-6-1-3-9-22(18)24/h1-17H.
What are the key properties of 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline?
2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline has a molecular weight of 461.36 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline is sourced from PubChem (CID 118529368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).