4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine

C30H23N3O — CID 163598234

IUPAC4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C30H23N3O/c31-22-14-16-24(17-15-22)32(23-8-2-1-3-9-23)25-18-20-26(21-19-25)33-27-10-4-6-12-29(27)34-30-13-7-5-11-28(30)33/h1-21H,31H2
InChIKeyGVIGHQZSDQJICJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP8.31
Rot. Bonds4

About 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine

4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 163598234) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID163598234
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C30H23N3O/c31-22-14-16-24(17-15-22)32(23-8-2-1-3-9-23)25-18-20-26(21-19-25)33-27-10-4-6-12-29(27)34-30-13-7-5-11-28(30)33/h1-21H,31H2
InChIKeyGVIGHQZSDQJICJ-UHFFFAOYSA-N
XLogP8.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
ethane;10-phenylphenoxazine
CID 123756019
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
4-N-(4-aminophenyl)-4-N-[4-[4-[4-(N-phenylanilino)phenyl]piperazin-1-yl]phenyl]benzene-1,4-diamine
CID 178074679
8-(4-aminophenyl)-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 174027200
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 163598234) is 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine is Nc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is GVIGHQZSDQJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c31-22-14-16-24(17-15-22)32(23-8-2-1-3-9-23)25-18-20-26(21-19-25)33-27-10-4-6-12-29(27)34-30-13-7-5-11-28(30)33/h1-21H,31H2.
What are the key properties of 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 441.53 g/mol, XLogP of 8.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 163598234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).