4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline

C25H16Br2N2 — CID 11730838

IUPAC4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline
SMILESBrC(Br)c1ccc2ccccc2c1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H16Br2N2/c26-24(27)20-15-14-16-8-4-5-11-18(16)22(20)23-19-12-6-7-13-21(19)28-25(29-23)17-9-2-1-3-10-17/h1-15,24H
InChIKeyMWXNTVLIJBGDDG-UHFFFAOYSA-N
MW504.23 g/mol
LogP7.91
Rot. Bonds3

About 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline

4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline (PubChem CID 11730838) has the molecular formula C25H16Br2N2 and a molecular weight of 504.23 g/mol. Its IUPAC name is 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline
PubChem CID11730838
Molecular FormulaC25H16Br2N2
Molecular Weight504.23 g/mol
Exact Mass501.97
IUPAC Name4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline
SMILESBrC(Br)c1ccc2ccccc2c1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H16Br2N2/c26-24(27)20-15-14-16-8-4-5-11-18(16)22(20)23-19-12-6-7-13-21(19)28-25(29-23)17-9-2-1-3-10-17/h1-15,24H
InChIKeyMWXNTVLIJBGDDG-UHFFFAOYSA-N
XLogP7.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.23
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666016
6-naphthalen-2-yl-8-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666018
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline?
The IUPAC name of 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline (CID 11730838) is 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline.
What is the SMILES notation for 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline?
The canonical SMILES for 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline is BrC(Br)c1ccc2ccccc2c1-c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline?
The InChIKey is MWXNTVLIJBGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2N2/c26-24(27)20-15-14-16-8-4-5-11-18(16)22(20)23-19-12-6-7-13-21(19)28-25(29-23)17-9-2-1-3-10-17/h1-15,24H.
What are the key properties of 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline?
4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline has a molecular weight of 504.23 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dibromomethyl)naphthalen-1-yl]-2-phenylquinazoline is sourced from PubChem (CID 11730838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).