3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine

C36H27N3O — CID 118518276

IUPAC3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3)cc1
InChIInChI=1S/C36H27N3O/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-33-35(25-31)40-36-26-32(22-24-34(36)37-33)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,37H
InChIKeySPPONIYAQHCYOB-UHFFFAOYSA-N
MW517.63 g/mol
LogP10.48
Rot. Bonds6

About 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine

3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine (PubChem CID 118518276) has the molecular formula C36H27N3O and a molecular weight of 517.63 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
PubChem CID118518276
Molecular FormulaC36H27N3O
Molecular Weight517.63 g/mol
Exact Mass517.22
IUPAC Name3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3)cc1
InChIInChI=1S/C36H27N3O/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-33-35(25-31)40-36-26-32(22-24-34(36)37-33)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,37H
InChIKeySPPONIYAQHCYOB-UHFFFAOYSA-N
XLogP10.48
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174810342
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CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
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N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine
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2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
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CID 155054486
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
N,N-diphenylaniline;silane
CID 131739129
3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine
CID 145233410
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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine?
The IUPAC name of 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine (CID 118518276) is 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3)cc1.
What is the InChIKey of 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine?
The InChIKey is SPPONIYAQHCYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-33-35(25-31)40-36-26-32(22-24-34(36)37-33)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,37H.
What are the key properties of 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine?
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine has a molecular weight of 517.63 g/mol, XLogP of 10.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine is sourced from PubChem (CID 118518276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).