10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine

C50H36N4OSi — CID 140809392

IUPAC10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc4c3ccc3ccccc34)cc2)c2ccccc21
InChIInChI=1S/C50H36N4OSi/c1-56(2)46-21-11-7-17-42(46)54(43-18-8-12-22-47(43)56)37-28-23-34(24-29-37)48-39-32-27-33-13-3-4-14-38(33)49(39)52-50(51-48)35-25-30-36(31-26-35)53-40-15-5-9-19-44(40)55-45-20-10-6-16-41(45)53/h3-32H,1-2H3
InChIKeyDHBWMBVILBYNIT-UHFFFAOYSA-N
MW736.95 g/mol
LogP12.30
Rot. Bonds4

About 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine

10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine (PubChem CID 140809392) has the molecular formula C50H36N4OSi and a molecular weight of 736.95 g/mol. Its IUPAC name is 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
PubChem CID140809392
Molecular FormulaC50H36N4OSi
Molecular Weight736.95 g/mol
Exact Mass736.27
IUPAC Name10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc4c3ccc3ccccc34)cc2)c2ccccc21
InChIInChI=1S/C50H36N4OSi/c1-56(2)46-21-11-7-17-42(46)54(43-18-8-12-22-47(43)56)37-28-23-34(24-29-37)48-39-32-27-33-13-3-4-14-38(33)49(39)52-50(51-48)35-25-30-36(31-26-35)53-40-15-5-9-19-44(40)55-45-20-10-6-16-41(45)53/h3-32H,1-2H3
InChIKeyDHBWMBVILBYNIT-UHFFFAOYSA-N
XLogP12.30
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.95
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-(4-phenylbenzo[h]quinazolin-2-yl)phenoxazine
CID 130396189
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
CID 130396303
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
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
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline
CID 140809363
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine (CID 140809392) is 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine is C[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc4c3ccc3ccccc34)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine?
The InChIKey is DHBWMBVILBYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4OSi/c1-56(2)46-21-11-7-17-42(46)54(43-18-8-12-22-47(43)56)37-28-23-34(24-29-37)48-39-32-27-33-13-3-4-14-38(33)49(39)52-50(51-48)35-25-30-36(31-26-35)53-40-15-5-9-19-44(40)55-45-20-10-6-16-41(45)53/h3-32H,1-2H3.
What are the key properties of 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine?
10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine has a molecular weight of 736.95 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 140809392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).