5-naphthalen-1-yl-9H-benzo[7]annulene

C21H16 — CID 142998872

IUPAC5-naphthalen-1-yl-9H-benzo[7]annulene
SMILESC1=CCc2ccccc2C(c2cccc3ccccc23)=C1
InChIInChI=1S/C21H16/c1-4-12-18-16(8-1)9-3-6-14-20(18)21-15-7-11-17-10-2-5-13-19(17)21/h1-8,10-15H,9H2
InChIKeySFUUIEGUIGNCSU-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.38
Rot. Bonds1

About 5-naphthalen-1-yl-9H-benzo[7]annulene

5-naphthalen-1-yl-9H-benzo[7]annulene (PubChem CID 142998872) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-naphthalen-1-yl-9H-benzo[7]annulene.

Molecular Properties

Compound Name5-naphthalen-1-yl-9H-benzo[7]annulene
PubChem CID142998872
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name5-naphthalen-1-yl-9H-benzo[7]annulene
SMILESC1=CCc2ccccc2C(c2cccc3ccccc23)=C1
InChIInChI=1S/C21H16/c1-4-12-18-16(8-1)9-3-6-14-20(18)21-15-7-11-17-10-2-5-13-19(17)21/h1-8,10-15H,9H2
InChIKeySFUUIEGUIGNCSU-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-9H-benzo[7]annulene
CID 123648201
9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene
CID 123889750
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
CID 143924056
1-(1H-inden-4-yl)phenanthrene
CID 174767393
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
9,10-dihydrophenanthrene;phenanthrene
CID 159340402

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-9H-benzo[7]annulene?
The IUPAC name of 5-naphthalen-1-yl-9H-benzo[7]annulene (CID 142998872) is 5-naphthalen-1-yl-9H-benzo[7]annulene.
What is the SMILES notation for 5-naphthalen-1-yl-9H-benzo[7]annulene?
The canonical SMILES for 5-naphthalen-1-yl-9H-benzo[7]annulene is C1=CCc2ccccc2C(c2cccc3ccccc23)=C1.
What is the InChIKey of 5-naphthalen-1-yl-9H-benzo[7]annulene?
The InChIKey is SFUUIEGUIGNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-4-12-18-16(8-1)9-3-6-14-20(18)21-15-7-11-17-10-2-5-13-19(17)21/h1-8,10-15H,9H2.
What are the key properties of 5-naphthalen-1-yl-9H-benzo[7]annulene?
5-naphthalen-1-yl-9H-benzo[7]annulene has a molecular weight of 268.36 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-9H-benzo[7]annulene is sourced from PubChem (CID 142998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).