10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine

C40H25NO — CID 59282334

IUPAC10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc2cc(-c3ccc4ccccc4c3)c3ccccc3c2c2ccccc12
InChIInChI=1S/C40H25NO/c1-2-12-27-23-28(22-21-26(27)11-1)34-24-29-25-37(31-14-4-6-16-33(31)40(29)32-15-5-3-13-30(32)34)41-35-17-7-9-19-38(35)42-39-20-10-8-18-36(39)41/h1-25H
InChIKeyIWZBJGQZNRRAMS-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.54
Rot. Bonds2

About 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine

10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine (PubChem CID 59282334) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine.

Molecular Properties

Compound Name10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine
PubChem CID59282334
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc2cc(-c3ccc4ccccc4c3)c3ccccc3c2c2ccccc12
InChIInChI=1S/C40H25NO/c1-2-12-27-23-28(22-21-26(27)11-1)34-24-29-25-37(31-14-4-6-16-33(31)40(29)32-15-5-3-13-30(32)34)41-35-17-7-9-19-38(35)42-39-20-10-8-18-36(39)41/h1-25H
InChIKeyIWZBJGQZNRRAMS-UHFFFAOYSA-N
XLogP11.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
CID 59282131
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542

Frequently Asked Questions

What is the IUPAC name of 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine?
The IUPAC name of 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine (CID 59282334) is 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine.
What is the SMILES notation for 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine?
The canonical SMILES for 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc2cc(-c3ccc4ccccc4c3)c3ccccc3c2c2ccccc12.
What is the InChIKey of 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine?
The InChIKey is IWZBJGQZNRRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-12-27-23-28(22-21-26(27)11-1)34-24-29-25-37(31-14-4-6-16-33(31)40(29)32-15-5-3-13-30(32)34)41-35-17-7-9-19-38(35)42-39-20-10-8-18-36(39)41/h1-25H.
What are the key properties of 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine?
10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine has a molecular weight of 535.65 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)phenoxazine is sourced from PubChem (CID 59282334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).