2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline

C38H22N2O — CID 171051285

IUPAC2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6cccc7oc4c5c76)nc4ccccc34)cc2)cc1
InChIInChI=1S/C38H22N2O/c1-2-9-23(10-3-1)24-17-19-25(20-18-24)36-30-13-6-7-15-32(30)39-38(40-36)31-22-21-29-27-12-5-4-11-26(27)28-14-8-16-33-34(28)35(29)37(31)41-33/h1-22H
InChIKeyMZNZDQXCAQBRRR-UHFFFAOYSA-N
MW522.61 g/mol
LogP10.27
Rot. Bonds3

About 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline

2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline (PubChem CID 171051285) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
PubChem CID171051285
Molecular FormulaC38H22N2O
Molecular Weight522.61 g/mol
Exact Mass522.17
IUPAC Name2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6cccc7oc4c5c76)nc4ccccc34)cc2)cc1
InChIInChI=1S/C38H22N2O/c1-2-9-23(10-3-1)24-17-19-25(20-18-24)36-30-13-6-7-15-32(30)39-38(40-36)31-22-21-29-27-12-5-4-11-26(27)28-14-8-16-33-34(28)35(29)37(31)41-33/h1-22H
InChIKeyMZNZDQXCAQBRRR-UHFFFAOYSA-N
XLogP10.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline with MolForge

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Related Compounds

4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
CID 156575030
2-(14,26-dioxaheptacyclo[21.2.1.05,25.06,18.07,15.08,13.019,24]hexacosa-1,3,5,7(15),8,10,12,16,18,20,22,24-dodecaen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166096250
2-(7-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 167087669
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
2-(23-oxahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-20-yl)-4-phenylquinazoline
CID 139497751
N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]-N,4-diphenylaniline
CID 169060901
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
2-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-4-phenylquinazoline
CID 134299709
4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 146337804
4-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]quinazoline
CID 166867337

Frequently Asked Questions

What is the IUPAC name of 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline (CID 171051285) is 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6cccc7oc4c5c76)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline?
The InChIKey is MZNZDQXCAQBRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O/c1-2-9-23(10-3-1)24-17-19-25(20-18-24)36-30-13-6-7-15-32(30)39-38(40-36)31-22-21-29-27-12-5-4-11-26(27)28-14-8-16-33-34(28)35(29)37(31)41-33/h1-22H.
What are the key properties of 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline?
2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline has a molecular weight of 522.61 g/mol, XLogP of 10.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 171051285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).