10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine

C46H29N9O — CID 58251210

IUPAC10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine
SMILESc1cnc(-c2cc(-c3cc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncccn3)c2)nc1
InChIInChI=1S/C46H29N9O/c1-3-11-41-39(9-1)55(40-10-2-4-12-42(40)56-41)38-28-32(30-22-34(43-47-13-5-14-48-43)26-35(23-30)44-49-15-6-16-50-44)21-33(29-38)31-24-36(45-51-17-7-18-52-45)27-37(25-31)46-53-19-8-20-54-46/h1-29H
InChIKeyXHCLNHGSNGPCEA-UHFFFAOYSA-N
MW723.80 g/mol
LogP10.42
Rot. Bonds7

About 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine

10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine (PubChem CID 58251210) has the molecular formula C46H29N9O and a molecular weight of 723.80 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine
PubChem CID58251210
Molecular FormulaC46H29N9O
Molecular Weight723.80 g/mol
Exact Mass723.25
IUPAC Name10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine
SMILESc1cnc(-c2cc(-c3cc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncccn3)c2)nc1
InChIInChI=1S/C46H29N9O/c1-3-11-41-39(9-1)55(40-10-2-4-12-42(40)56-41)38-28-32(30-22-34(43-47-13-5-14-48-43)26-35(23-30)44-49-15-6-16-50-44)21-33(29-38)31-24-36(45-51-17-7-18-52-45)27-37(25-31)46-53-19-8-20-54-46/h1-29H
InChIKeyXHCLNHGSNGPCEA-UHFFFAOYSA-N
XLogP10.42
TPSA115.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.80
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline
CID 137470057
4-[(3S)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline
CID 137470059
(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 44527654
US10196391, Example 38
CID 121456100
4-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline
CID 2546886
1-(2-Methoxyphenyl)-4-{6-[(3-methylphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL}piperazine
CID 20960854
2-[4-[2-(4-Fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
CID 24733435
5-[6-(2,3-Dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507832
5-[6-(2,3-Dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507871
10-[2,3-Bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
CID 134578894

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine (CID 58251210) is 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine is c1cnc(-c2cc(-c3cc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncccn3)c2)nc1.
What is the InChIKey of 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine?
The InChIKey is XHCLNHGSNGPCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N9O/c1-3-11-41-39(9-1)55(40-10-2-4-12-42(40)56-41)38-28-32(30-22-34(43-47-13-5-14-48-43)26-35(23-30)44-49-15-6-16-50-44)21-33(29-38)31-24-36(45-51-17-7-18-52-45)27-37(25-31)46-53-19-8-20-54-46/h1-29H.
What are the key properties of 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine?
10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine has a molecular weight of 723.80 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 58251210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).