2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene

C40H26 — CID 59399010

IUPAC2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)ccc43)c2)c1
InChIInChI=1S/C40H26/c1-3-8-29-22-33(14-12-27(29)6-1)31-10-5-11-32(24-31)35-18-20-39-37(25-35)16-17-38-26-36(19-21-40(38)39)34-15-13-28-7-2-4-9-30(28)23-34/h1-26H
InChIKeyYZZADNVRRHIRLU-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene

2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene (PubChem CID 59399010) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene.

Molecular Properties

Compound Name2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
PubChem CID59399010
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)ccc43)c2)c1
InChIInChI=1S/C40H26/c1-3-8-29-22-33(14-12-27(29)6-1)31-10-5-11-32(24-31)35-18-20-39-37(25-35)16-17-38-26-36(19-21-40(38)39)34-15-13-28-7-2-4-9-30(28)23-34/h1-26H
InChIKeyYZZADNVRRHIRLU-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
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-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-naphthalen-2-ylphenanthrene
CID 90738367
benzo[f]azulene
CID 13065869
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
3-phenylbenzo[a]anthracene
CID 59412661
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene?
The IUPAC name of 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene (CID 59399010) is 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene.
What is the SMILES notation for 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene?
The canonical SMILES for 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)ccc43)c2)c1.
What is the InChIKey of 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene?
The InChIKey is YZZADNVRRHIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-8-29-22-33(14-12-27(29)6-1)31-10-5-11-32(24-31)35-18-20-39-37(25-35)16-17-38-26-36(19-21-40(38)39)34-15-13-28-7-2-4-9-30(28)23-34/h1-26H.
What are the key properties of 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene?
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene is sourced from PubChem (CID 59399010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).