10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine

C30H19N3O — CID 130396189

IUPAC10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C30H19N3O/c1-2-11-21(12-3-1)28-23-19-18-20-10-4-5-13-22(20)29(23)32-30(31-28)33-24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)33/h1-19H
InChIKeyYTYXOVDMBFSSOS-UHFFFAOYSA-N
MW437.50 g/mol
LogP8.03
Rot. Bonds2

About 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine

10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine (PubChem CID 130396189) has the molecular formula C30H19N3O and a molecular weight of 437.50 g/mol. Its IUPAC name is 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine
PubChem CID130396189
Molecular FormulaC30H19N3O
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C30H19N3O/c1-2-11-21(12-3-1)28-23-19-18-20-10-4-5-13-22(20)29(23)32-30(31-28)33-24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)33/h1-19H
InChIKeyYTYXOVDMBFSSOS-UHFFFAOYSA-N
XLogP8.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
CID 140809392
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
2-phenyl-20-(4-phenylbenzo[h]quinazolin-2-yl)-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 142543703
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
CID 176627421
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121402019
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679609

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine?
The IUPAC name of 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine (CID 130396189) is 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine.
What is the SMILES notation for 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine?
The canonical SMILES for 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine?
The InChIKey is YTYXOVDMBFSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O/c1-2-11-21(12-3-1)28-23-19-18-20-10-4-5-13-22(20)29(23)32-30(31-28)33-24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)33/h1-19H.
What are the key properties of 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine?
10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine has a molecular weight of 437.50 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine is sourced from PubChem (CID 130396189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).