10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine

C49H31N3O2 — CID 59183336

IUPAC10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5ncccc45)cc32)cc1
InChIInChI=1S/C49H31N3O2/c1-3-14-34(15-4-1)51-39-21-9-11-23-43(39)53-45-27-25-32(30-41(45)51)47-36-18-7-8-19-37(36)48(49-38(47)20-13-29-50-49)33-26-28-46-42(31-33)52(35-16-5-2-6-17-35)40-22-10-12-24-44(40)54-46/h1-31H
InChIKeyDPPSNAFPHWPMMI-UHFFFAOYSA-N
MW693.81 g/mol
LogP13.87
Rot. Bonds4

About 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine

10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine (PubChem CID 59183336) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine
PubChem CID59183336
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5ncccc45)cc32)cc1
InChIInChI=1S/C49H31N3O2/c1-3-14-34(15-4-1)51-39-21-9-11-23-43(39)53-45-27-25-32(30-41(45)51)47-36-18-7-8-19-37(36)48(49-38(47)20-13-29-50-49)33-26-28-46-42(31-33)52(35-16-5-2-6-17-35)40-22-10-12-24-44(40)54-46/h1-31H
InChIKeyDPPSNAFPHWPMMI-UHFFFAOYSA-N
XLogP13.87
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine (CID 59183336) is 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5ncccc45)cc32)cc1.
What is the InChIKey of 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine?
The InChIKey is DPPSNAFPHWPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-3-14-34(15-4-1)51-39-21-9-11-23-43(39)53-45-27-25-32(30-41(45)51)47-36-18-7-8-19-37(36)48(49-38(47)20-13-29-50-49)33-26-28-46-42(31-33)52(35-16-5-2-6-17-35)40-22-10-12-24-44(40)54-46/h1-31H.
What are the key properties of 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine?
10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine has a molecular weight of 693.81 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[5-(10-phenylphenoxazin-2-yl)benzo[g]quinolin-10-yl]phenoxazine is sourced from PubChem (CID 59183336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).