1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene

C48H30 — CID 166133552

IUPAC1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
SMILESc1ccc(-c2c(-c3ccccc3-c3cccc4c3ccc3ccccc34)c3c4c(cccc4c2-c2ccccc2)-c2ccccc2-3)cc1
InChIInChI=1S/C48H30/c1-3-16-32(17-4-1)44-43-28-14-27-40-38-22-10-12-24-42(38)48(46(40)43)47(45(44)33-18-5-2-6-19-33)41-23-11-9-21-37(41)36-26-13-25-35-34-20-8-7-15-31(34)29-30-39(35)36/h1-30H
InChIKeyJEFCQCQWPRBTNG-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.46
Rot. Bonds4

About 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene

1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene (PubChem CID 166133552) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene.

Molecular Properties

Compound Name1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
PubChem CID166133552
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
SMILESc1ccc(-c2c(-c3ccccc3-c3cccc4c3ccc3ccccc34)c3c4c(cccc4c2-c2ccccc2)-c2ccccc2-3)cc1
InChIInChI=1S/C48H30/c1-3-16-32(17-4-1)44-43-28-14-27-40-38-22-10-12-24-42(38)48(46(40)43)47(45(44)33-18-5-2-6-19-33)41-23-11-9-21-37(41)36-26-13-25-35-34-20-8-7-15-31(34)29-30-39(35)36/h1-30H
InChIKeyJEFCQCQWPRBTNG-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.46
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

2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-phenanthren-1-ylphenyl)-10-phenylanthracene;9-phenyl-10-(2-phenylphenyl)anthracene;9-phenyl-10-(3-phenylphenyl)anthracene;9-phenyl-10-(4-phenylphenyl)anthracene
CID 165066854
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
6-naphthalen-1-yl-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene
CID 123973018
1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
CID 157199364
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
chrysene;coronene;phenanthrene;5,6,11,12-tetraphenyltetracene
CID 174892643

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene?
The IUPAC name of 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene (CID 166133552) is 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene.
What is the SMILES notation for 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene?
The canonical SMILES for 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene is c1ccc(-c2c(-c3ccccc3-c3cccc4c3ccc3ccccc34)c3c4c(cccc4c2-c2ccccc2)-c2ccccc2-3)cc1.
What is the InChIKey of 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene?
The InChIKey is JEFCQCQWPRBTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-16-32(17-4-1)44-43-28-14-27-40-38-22-10-12-24-42(38)48(46(40)43)47(45(44)33-18-5-2-6-19-33)41-23-11-9-21-37(41)36-26-13-25-35-34-20-8-7-15-31(34)29-30-39(35)36/h1-30H.
What are the key properties of 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene?
1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene has a molecular weight of 606.77 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene is sourced from PubChem (CID 166133552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).