2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole

C46H29P — CID 59282470

IUPAC2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole
SMILESc1ccc(-p2c3ccccc3c3cc(-c4cc5cc(-c6cccc7ccccc67)c6ccccc6c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H29P/c1-2-15-33(16-3-1)47-44-24-11-10-20-38(44)43-27-31(25-26-45(43)47)41-28-32-29-42(35-23-12-14-30-13-4-5-17-34(30)35)37-19-7-9-22-40(37)46(32)39-21-8-6-18-36(39)41/h1-29H
InChIKeyUCYMRUYAFKSQOL-UHFFFAOYSA-N
MW612.71 g/mol
LogP13.92
Rot. Bonds3

About 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole

2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole (PubChem CID 59282470) has the molecular formula C46H29P and a molecular weight of 612.71 g/mol. Its IUPAC name is 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole.

Molecular Properties

Compound Name2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole
PubChem CID59282470
Molecular FormulaC46H29P
Molecular Weight612.71 g/mol
Exact Mass612.20
IUPAC Name2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole
SMILESc1ccc(-p2c3ccccc3c3cc(-c4cc5cc(-c6cccc7ccccc67)c6ccccc6c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H29P/c1-2-15-33(16-3-1)47-44-24-11-10-20-38(44)43-27-31(25-26-45(43)47)41-28-32-29-42(35-23-12-14-30-13-4-5-17-34(30)35)37-19-7-9-22-40(37)46(32)39-21-8-6-18-36(39)41/h1-29H
InChIKeyUCYMRUYAFKSQOL-UHFFFAOYSA-N
XLogP13.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
7-methyl-8-(5-phenylbenzo[b]phosphindol-3-yl)benzo[c]carbazole
CID 126631847
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
CID 155333268
5,8-diphenyl-2-(3-phenylnaphthalen-2-yl)benzo[b]phosphindole;12-naphthalen-1-yl-7-(3-phenylnaphthalen-2-yl)benzo[a]anthracene;6-(4-naphthalen-1-ylphenyl)-12-(3-phenylnaphthalen-2-yl)chrysene;5-phenanthren-9-yl-12-(3-phenylnaphthalen-2-yl)tetracene;14-phenyl-9-(3-phenylnaphthalen-2-yl)benzo[b]triphenylene;7-phenyl-10-(3-phenylnaphthalen-2-yl)fluoranthene;2-phenyl-7-[7-(3-phenylnaphthalen-2-yl)phenanthren-2-yl]phenanthrene
CID 158296840
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
CID 59282086
9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
CID 59282514
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole?
The IUPAC name of 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole (CID 59282470) is 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole.
What is the SMILES notation for 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole?
The canonical SMILES for 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole is c1ccc(-p2c3ccccc3c3cc(-c4cc5cc(-c6cccc7ccccc67)c6ccccc6c5c5ccccc45)ccc32)cc1.
What is the InChIKey of 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole?
The InChIKey is UCYMRUYAFKSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29P/c1-2-15-33(16-3-1)47-44-24-11-10-20-38(44)43-27-31(25-26-45(43)47)41-28-32-29-42(35-23-12-14-30-13-4-5-17-34(30)35)37-19-7-9-22-40(37)46(32)39-21-8-6-18-36(39)41/h1-29H.
What are the key properties of 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole?
2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole has a molecular weight of 612.71 g/mol, XLogP of 13.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole is sourced from PubChem (CID 59282470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).