2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline

C48H30N2 — CID 152898383

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc3ccccc23)cc1
InChIInChI=1S/C48H30N2/c1-2-14-33(15-3-1)47-42-20-10-11-21-44(42)49-48(50-47)38-26-27-41-43(30-38)46(37-25-23-32-13-5-7-17-35(32)29-37)40-19-9-8-18-39(40)45(41)36-24-22-31-12-4-6-16-34(31)28-36/h1-30H
InChIKeyUEVOQZVZDMUXKM-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.91
Rot. Bonds4

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline (PubChem CID 152898383) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
PubChem CID152898383
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc3ccccc23)cc1
InChIInChI=1S/C48H30N2/c1-2-14-33(15-3-1)47-42-20-10-11-21-44(42)49-48(50-47)38-26-27-41-43(30-38)46(37-25-23-32-13-5-7-17-35(32)29-37)40-19-9-8-18-39(40)45(41)36-24-22-31-12-4-6-16-34(31)28-36/h1-30H
InChIKeyUEVOQZVZDMUXKM-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)quinazoline
CID 89279802
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
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
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233354
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline (CID 152898383) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline?
The InChIKey is UEVOQZVZDMUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-14-33(15-3-1)47-42-20-10-11-21-44(42)49-48(50-47)38-26-27-41-43(30-38)46(37-25-23-32-13-5-7-17-35(32)29-37)40-19-9-8-18-39(40)45(41)36-24-22-31-12-4-6-16-34(31)28-36/h1-30H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline has a molecular weight of 634.78 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline is sourced from PubChem (CID 152898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).