3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline

C36H26N4O2 — CID 129291729

IUPAC3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
SMILESNc1cc(-c2cc(N)cc(N3c4ccccc4Oc4ccccc43)c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H26N4O2/c37-25-17-23(19-27(21-25)39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)24-18-26(38)22-28(20-24)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H,37-38H2
InChIKeyVENMPGFTWROHNS-UHFFFAOYSA-N
MW546.63 g/mol
LogP9.67
Rot. Bonds3

About 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline

3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline (PubChem CID 129291729) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline.

Molecular Properties

Compound Name3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
PubChem CID129291729
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
SMILESNc1cc(-c2cc(N)cc(N3c4ccccc4Oc4ccccc43)c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H26N4O2/c37-25-17-23(19-27(21-25)39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)24-18-26(38)22-28(20-24)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H,37-38H2
InChIKeyVENMPGFTWROHNS-UHFFFAOYSA-N
XLogP9.67
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
CID 58251251
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
ethane;10-phenylphenoxazine
CID 123756019
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835
4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163598234
11-phenyl-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-nonaene
CID 140893612
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-(3,5-dimethylphenyl)-3-iodophenoxazine
CID 145383930

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline?
The IUPAC name of 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline (CID 129291729) is 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline.
What is the SMILES notation for 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline?
The canonical SMILES for 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline is Nc1cc(-c2cc(N)cc(N3c4ccccc4Oc4ccccc43)c2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline?
The InChIKey is VENMPGFTWROHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c37-25-17-23(19-27(21-25)39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)24-18-26(38)22-28(20-24)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H,37-38H2.
What are the key properties of 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline?
3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline has a molecular weight of 546.63 g/mol, XLogP of 9.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline is sourced from PubChem (CID 129291729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).