10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine

C46H31NO — CID 129057445

IUPAC10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
InChIKeyIGGSSEOAGCUGDJ-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.08
Rot. Bonds5

About 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine

10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine (PubChem CID 129057445) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
PubChem CID129057445
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
InChIKeyIGGSSEOAGCUGDJ-UHFFFAOYSA-N
XLogP13.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12H-Benzo[b]phenoxazine
CID 266947
12-acetyl-12H-benzo[b]phenoxazine
CID 781104
1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone
CID 247104
2-Naphthalen-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 72545290
2-Naphthalen-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 72545531
Benzo(a)phenoxazine
CID 13409908
12H-Benzo(a)phenoxazine, 12-methyl-
CID 243194
5,9-Diaminodibenzo(a,j)phenoxazinium chloride
CID 129867422
3,7-Bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
CID 164665377
12-(2-Chloroethyl)benzo[a]phenoxazine
CID 243195
dichlorozinc; N,N-dimethyl-12H-benzo[b]phenoxazin-8-amine
CID 176468617
Dibenzo[b,i]phenoxazine
CID 13954483

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine?
The IUPAC name of 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine (CID 129057445) is 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine?
The canonical SMILES for 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine is c1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine?
The InChIKey is IGGSSEOAGCUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H.
What are the key properties of 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine?
10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine has a molecular weight of 613.76 g/mol, XLogP of 13.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 129057445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).