8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene

C40H24 — CID 168812619

IUPAC8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c3)ccc1-2
InChIInChI=1S/C40H24/c1-2-8-34-26(5-1)13-14-27-15-18-31(23-38(27)34)29-16-11-25-12-17-30(22-33(25)21-29)32-19-20-35-36-9-3-6-28-7-4-10-37(40(28)36)39(35)24-32/h1-24H
InChIKeyVQUOGBRIFREPSO-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.28
Rot. Bonds2

About 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene

8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene (PubChem CID 168812619) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene.

Molecular Properties

Compound Name8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
PubChem CID168812619
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c3)ccc1-2
InChIInChI=1S/C40H24/c1-2-8-34-26(5-1)13-14-27-15-18-31(23-38(27)34)29-16-11-25-12-17-30(22-33(25)21-29)32-19-20-35-36-9-3-6-28-7-4-10-37(40(28)36)39(35)24-32/h1-24H
InChIKeyVQUOGBRIFREPSO-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.28
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

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(6-chrysen-3-ylnaphthalen-2-yl)perylene
CID 140818378
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298

Frequently Asked Questions

What is the IUPAC name of 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene?
The IUPAC name of 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene (CID 168812619) is 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene.
What is the SMILES notation for 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene?
The canonical SMILES for 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene is c1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c3)ccc1-2.
What is the InChIKey of 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene?
The InChIKey is VQUOGBRIFREPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-8-34-26(5-1)13-14-27-15-18-31(23-38(27)34)29-16-11-25-12-17-30(22-33(25)21-29)32-19-20-35-36-9-3-6-28-7-4-10-37(40(28)36)39(35)24-32/h1-24H.
What are the key properties of 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene?
8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene has a molecular weight of 504.63 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene is sourced from PubChem (CID 168812619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).