4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline

C144H128N12 — CID 161364609

IUPAC4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3c(ccc4ccccc43)c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccc4ccccc4c3c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/2C26H22N2.2C24H22N2.2C22H20N2/c1-26(2,3)24-22-10-6-7-11-23(22)27-25(28-24)19-14-15-21-18(16-19)13-12-17-8-4-5-9-20(17)21;1-26(2,3)24-21-10-6-7-11-23(21)27-25(28-24)19-15-14-18-13-12-17-8-4-5-9-20(17)22(18)16-19;1-24(2,3)22-20-14-7-8-15-21(20)25-23(26-22)19-13-9-12-18(16-19)17-10-5-4-6-11-17;1-24(2,3)22-20-11-7-8-12-21(20)25-23(26-22)19-15-13-18(14-16-19)17-9-5-4-6-10-17;1-22(2,3)20-18-12-6-7-14-19(18)23-21(24-20)17-13-8-10-15-9-4-5-11-16(15)17;1-22(2,3)20-18-10-6-7-11-19(18)23-21(24-20)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-16H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3
InChIKeyVPQNXRWOIAOMMD-UHFFFAOYSA-N
MW2026.69 g/mol
LogP37.82
Rot. Bonds8

About 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline

4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline (PubChem CID 161364609) has the molecular formula C144H128N12 and a molecular weight of 2026.69 g/mol. Its IUPAC name is 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline
PubChem CID161364609
Molecular FormulaC144H128N12
Molecular Weight2026.69 g/mol
Exact Mass2025.04
IUPAC Name4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3c(ccc4ccccc43)c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccc4ccccc4c3c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/2C26H22N2.2C24H22N2.2C22H20N2/c1-26(2,3)24-22-10-6-7-11-23(22)27-25(28-24)19-14-15-21-18(16-19)13-12-17-8-4-5-9-20(17)21;1-26(2,3)24-21-10-6-7-11-23(21)27-25(28-24)19-15-14-18-13-12-17-8-4-5-9-20(17)22(18)16-19;1-24(2,3)22-20-14-7-8-15-21(20)25-23(26-22)19-13-9-12-18(16-19)17-10-5-4-6-11-17;1-24(2,3)22-20-11-7-8-12-21(20)25-23(26-22)19-15-13-18(14-16-19)17-9-5-4-6-10-17;1-22(2,3)20-18-12-6-7-14-19(18)23-21(24-20)17-13-8-10-15-9-4-5-11-16(15)17;1-22(2,3)20-18-10-6-7-11-19(18)23-21(24-20)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-16H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3
InChIKeyVPQNXRWOIAOMMD-UHFFFAOYSA-N
XLogP37.82
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.69
LogP ≤ 537.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
2-naphthalen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176588060
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281
2-phenanthren-2-yl-4-phenanthren-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598294
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
4-tert-butyl-2-[3-[2-methyl-2-(2-naphthalen-1-ylquinazolin-4-yl)propyl]-5-phenylphenyl]quinazoline
CID 130266306
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline?
The IUPAC name of 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline (CID 161364609) is 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline?
The canonical SMILES for 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline is CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3c(ccc4ccccc43)c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccc4ccccc4c3c2)nc2ccccc12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc2ccccc12.CC(C)(C)c1nc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline?
The InChIKey is VPQNXRWOIAOMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N2.2C24H22N2.2C22H20N2/c1-26(2,3)24-22-10-6-7-11-23(22)27-25(28-24)19-14-15-21-18(16-19)13-12-17-8-4-5-9-20(17)21;1-26(2,3)24-21-10-6-7-11-23(21)27-25(28-24)19-15-14-18-13-12-17-8-4-5-9-20(17)22(18)16-19;1-24(2,3)22-20-14-7-8-15-21(20)25-23(26-22)19-13-9-12-18(16-19)17-10-5-4-6-11-17;1-24(2,3)22-20-11-7-8-12-21(20)25-23(26-22)19-15-13-18(14-16-19)17-9-5-4-6-10-17;1-22(2,3)20-18-12-6-7-14-19(18)23-21(24-20)17-13-8-10-15-9-4-5-11-16(15)17;1-22(2,3)20-18-10-6-7-11-19(18)23-21(24-20)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-16H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3.
What are the key properties of 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline?
4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline has a molecular weight of 2026.69 g/mol, XLogP of 37.82, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-naphthalen-1-ylquinazoline;4-tert-butyl-2-naphthalen-2-ylquinazoline;4-tert-butyl-2-phenanthren-2-ylquinazoline;4-tert-butyl-2-phenanthren-3-ylquinazoline;4-tert-butyl-2-(3-phenylphenyl)quinazoline;4-tert-butyl-2-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 161364609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).