3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine

C36H25BrN2O2 — CID 165381697

IUPAC3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine
SMILESBrc1c(Oc2ccccc2)cc2c(c1N(c1ccccc1)c1ccccc1)Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C36H25BrN2O2/c37-34-33(40-29-21-11-4-12-22-29)25-31-36(35(34)38(26-15-5-1-6-16-26)27-17-7-2-8-18-27)41-32-24-14-13-23-30(32)39(31)28-19-9-3-10-20-28/h1-25H
InChIKeyALNHKPSTUIZCAP-UHFFFAOYSA-N
MW597.51 g/mol
LogP11.29
Rot. Bonds6

About 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine

3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine (PubChem CID 165381697) has the molecular formula C36H25BrN2O2 and a molecular weight of 597.51 g/mol. Its IUPAC name is 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine.

Molecular Properties

Compound Name3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine
PubChem CID165381697
Molecular FormulaC36H25BrN2O2
Molecular Weight597.51 g/mol
Exact Mass596.11
IUPAC Name3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine
SMILESBrc1c(Oc2ccccc2)cc2c(c1N(c1ccccc1)c1ccccc1)Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C36H25BrN2O2/c37-34-33(40-29-21-11-4-12-22-29)25-31-36(35(34)38(26-15-5-1-6-16-26)27-17-7-2-8-18-27)41-32-24-14-13-23-30(32)39(31)28-19-9-3-10-20-28/h1-25H
InChIKeyALNHKPSTUIZCAP-UHFFFAOYSA-N
XLogP11.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.51
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine 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

3-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenylphenoxazine-2,4-diamine
CID 165381560
2-bromo-4-chloro-10-phenylphenoxazine
CID 177083951
4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163598234
1-bromo-2-(3-phenoxyphenoxy)benzene;3-phenoxyphenol;3-[2-(3-phenoxyphenoxy)phenoxy]-N,N-diphenylaniline;3-(N-phenylanilino)phenol;28-phenyl-13,19,22-trioxa-28-aza-1,6-diboranonacyclo[21.11.1.16,14.02,21.05,20.07,12.027,35.029,34.018,36]hexatriaconta-2(21),3,5(20),7,9,11,14(36),15,17,23,25,27(35),29,31,33-pentadecaene
CID 160706383
ethane;10-phenylphenoxazine
CID 123756019
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
2,16,26-triphenyl-19-oxa-2,16,26-triaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381504
CID 154595373
CID 154595373
10-(4-fluorophenyl)phenoxazine
CID 141389969

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine?
The IUPAC name of 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine (CID 165381697) is 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine.
What is the SMILES notation for 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine?
The canonical SMILES for 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine is Brc1c(Oc2ccccc2)cc2c(c1N(c1ccccc1)c1ccccc1)Oc1ccccc1N2c1ccccc1.
What is the InChIKey of 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine?
The InChIKey is ALNHKPSTUIZCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrN2O2/c37-34-33(40-29-21-11-4-12-22-29)25-31-36(35(34)38(26-15-5-1-6-16-26)27-17-7-2-8-18-27)41-32-24-14-13-23-30(32)39(31)28-19-9-3-10-20-28/h1-25H.
What are the key properties of 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine?
3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine has a molecular weight of 597.51 g/mol, XLogP of 11.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine is sourced from PubChem (CID 165381697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).