9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene

C32H28 — CID 123875483

IUPAC9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene
SMILESC1=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)CCCCCC1
InChIInChI=1S/C32H28/c1-2-4-13-24(14-5-3-1)31-27-16-8-10-18-29(27)32(30-19-11-9-17-28(30)31)26-21-20-23-12-6-7-15-25(23)22-26/h6-13,15-22H,1-5,14H2
InChIKeyYKRRTLPGCZMTLT-UHFFFAOYSA-N
MW412.58 g/mol
LogP9.55
Rot. Bonds2

About 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene

9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene (PubChem CID 123875483) has the molecular formula C32H28 and a molecular weight of 412.58 g/mol. Its IUPAC name is 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene
PubChem CID123875483
Molecular FormulaC32H28
Molecular Weight412.58 g/mol
Exact Mass412.22
IUPAC Name9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene
SMILESC1=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)CCCCCC1
InChIInChI=1S/C32H28/c1-2-4-13-24(14-5-3-1)31-27-16-8-10-18-29(27)32(30-19-11-9-17-28(30)31)26-21-20-23-12-6-7-15-25(23)22-26/h6-13,15-22H,1-5,14H2
InChIKeyYKRRTLPGCZMTLT-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 59.55
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

9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155203939
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143617541
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707

Frequently Asked Questions

What is the IUPAC name of 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene (CID 123875483) is 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene is C1=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)CCCCCC1.
What is the InChIKey of 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene?
The InChIKey is YKRRTLPGCZMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28/c1-2-4-13-24(14-5-3-1)31-27-16-8-10-18-29(27)32(30-19-11-9-17-28(30)31)26-21-20-23-12-6-7-15-25(23)22-26/h6-13,15-22H,1-5,14H2.
What are the key properties of 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene?
9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene has a molecular weight of 412.58 g/mol, XLogP of 9.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cycloocten-1-yl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 123875483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).