4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol

C36H28N4O2 — CID 130352999

IUPAC4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol
SMILESNN1c2ccc(N(c3ccccc3)c3ccccc3)cc2Oc2cc(N(c3ccccc3)c3ccc(O)cc3)ccc21
InChIInChI=1S/C36H28N4O2/c37-40-33-22-18-30(38(26-10-4-1-5-11-26)27-12-6-2-7-13-27)24-35(33)42-36-25-31(19-23-34(36)40)39(28-14-8-3-9-15-28)29-16-20-32(41)21-17-29/h1-25,41H,37H2
InChIKeyMINNIHWYTADJDU-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.45
Rot. Bonds6

About 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol

4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol (PubChem CID 130352999) has the molecular formula C36H28N4O2 and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol.

Molecular Properties

Compound Name4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol
PubChem CID130352999
Molecular FormulaC36H28N4O2
Molecular Weight548.65 g/mol
Exact Mass548.22
IUPAC Name4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol
SMILESNN1c2ccc(N(c3ccccc3)c3ccccc3)cc2Oc2cc(N(c3ccccc3)c3ccc(O)cc3)ccc21
InChIInChI=1S/C36H28N4O2/c37-40-33-22-18-30(38(26-10-4-1-5-11-26)27-12-6-2-7-13-27)24-35(33)42-36-25-31(19-23-34(36)40)39(28-14-8-3-9-15-28)29-16-20-32(41)21-17-29/h1-25,41H,37H2
InChIKeyMINNIHWYTADJDU-UHFFFAOYSA-N
XLogP9.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol
CID 135257326
4-(N-[4-(dimethylamino)phenyl]anilino)phenol
CID 57152032
5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 71211308
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
CID 118518276
4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
CID 20686206
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine
CID 172876431
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913

Frequently Asked Questions

What is the IUPAC name of 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol?
The IUPAC name of 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol (CID 130352999) is 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol.
What is the SMILES notation for 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol?
The canonical SMILES for 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol is NN1c2ccc(N(c3ccccc3)c3ccccc3)cc2Oc2cc(N(c3ccccc3)c3ccc(O)cc3)ccc21.
What is the InChIKey of 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol?
The InChIKey is MINNIHWYTADJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O2/c37-40-33-22-18-30(38(26-10-4-1-5-11-26)27-12-6-2-7-13-27)24-35(33)42-36-25-31(19-23-34(36)40)39(28-14-8-3-9-15-28)29-16-20-32(41)21-17-29/h1-25,41H,37H2.
What are the key properties of 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol?
4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol has a molecular weight of 548.65 g/mol, XLogP of 9.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol is sourced from PubChem (CID 130352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).