2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one

C43H28N2O2 — CID 137401641

IUPAC2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C43H28N2O2/c46-43-36-16-8-7-15-35(36)37-27-31(29-11-3-1-4-12-29)21-25-38(37)45(43)34-23-19-30(20-24-34)32-22-26-40-42(28-32)47-41-18-10-9-17-39(41)44(40)33-13-5-2-6-14-33/h1-28H
InChIKeyFTFWTEHZABFBGM-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.05
Rot. Bonds4

About 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one

2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one (PubChem CID 137401641) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
PubChem CID137401641
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC Name2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C43H28N2O2/c46-43-36-16-8-7-15-35(36)37-27-31(29-11-3-1-4-12-29)21-25-38(37)45(43)34-23-19-30(20-24-34)32-22-26-40-42(28-32)47-41-18-10-9-17-39(41)44(40)33-13-5-2-6-14-33/h1-28H
InChIKeyFTFWTEHZABFBGM-UHFFFAOYSA-N
XLogP11.05
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 511.05
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-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
CID 121242285
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
CID 160553276
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one?
The IUPAC name of 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one (CID 137401641) is 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one.
What is the SMILES notation for 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one?
The canonical SMILES for 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one?
The InChIKey is FTFWTEHZABFBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c46-43-36-16-8-7-15-35(36)37-27-31(29-11-3-1-4-12-29)21-25-38(37)45(43)34-23-19-30(20-24-34)32-22-26-40-42(28-32)47-41-18-10-9-17-39(41)44(40)33-13-5-2-6-14-33/h1-28H.
What are the key properties of 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one?
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one has a molecular weight of 604.71 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one is sourced from PubChem (CID 137401641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).