3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene

C50H30 — CID 58323557

IUPAC3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6cccc7ccccc67)cc45)ccc-2c13
InChIInChI=1S/C50H30/c1-2-13-33-29-35(24-23-31(33)11-1)48-41-18-7-8-19-42(41)50(45-28-27-44-39-17-6-5-16-38(39)40-21-10-22-43(45)49(40)44)47-30-34(25-26-46(47)48)37-20-9-14-32-12-3-4-15-36(32)37/h1-30H
InChIKeyTVMKKWADHWVJAS-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene

3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene (PubChem CID 58323557) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene.

Molecular Properties

Compound Name3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
PubChem CID58323557
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6cccc7ccccc67)cc45)ccc-2c13
InChIInChI=1S/C50H30/c1-2-13-33-29-35(24-23-31(33)11-1)48-41-18-7-8-19-42(41)50(45-28-27-44-39-17-6-5-16-38(39)40-21-10-22-43(45)49(40)44)47-30-34(25-26-46(47)48)37-20-9-14-32-12-3-4-15-36(32)37/h1-30H
InChIKeyTVMKKWADHWVJAS-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene?
The IUPAC name of 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene (CID 58323557) is 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene.
What is the SMILES notation for 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene?
The canonical SMILES for 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene is c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6cccc7ccccc67)cc45)ccc-2c13.
What is the InChIKey of 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene?
The InChIKey is TVMKKWADHWVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-2-13-33-29-35(24-23-31(33)11-1)48-41-18-7-8-19-42(41)50(45-28-27-44-39-17-6-5-16-38(39)40-21-10-22-43(45)49(40)44)47-30-34(25-26-46(47)48)37-20-9-14-32-12-3-4-15-36(32)37/h1-30H.
What are the key properties of 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene?
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene has a molecular weight of 630.79 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene is sourced from PubChem (CID 58323557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).