7-phenyl-1H-benzo[a]phenalene

C23H16 — CID 123339863

IUPAC7-phenyl-1H-benzo[a]phenalene
SMILESC1=Cc2cccc3c(-c4ccccc4)c4ccccc4c(c23)C1
InChIInChI=1S/C23H16/c1-2-8-16(9-3-1)22-19-13-5-4-12-18(19)20-14-6-10-17-11-7-15-21(22)23(17)20/h1-13,15H,14H2
InChIKeyLSTLREJQGZYOPJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP6.23
Rot. Bonds1

About 7-phenyl-1H-benzo[a]phenalene

7-phenyl-1H-benzo[a]phenalene (PubChem CID 123339863) has the molecular formula C23H16 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-phenyl-1H-benzo[a]phenalene.

Molecular Properties

Compound Name7-phenyl-1H-benzo[a]phenalene
PubChem CID123339863
Molecular FormulaC23H16
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name7-phenyl-1H-benzo[a]phenalene
SMILESC1=Cc2cccc3c(-c4ccccc4)c4ccccc4c(c23)C1
InChIInChI=1S/C23H16/c1-2-8-16(9-3-1)22-19-13-5-4-12-18(19)20-14-6-10-17-11-7-15-21(22)23(17)20/h1-13,15H,14H2
InChIKeyLSTLREJQGZYOPJ-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.23
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

aniline;N,N-diethylethanamine;2-methylpropan-2-amine;7-phenyl-1H-benzo[a]phenalene;piperidine
CID 161079693
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4-phenyl-3H-cyclopenta[b]naphthalene
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12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
CID 58535925
azulene;1H-indene
CID 160524105
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CID 143224896
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
8-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59642385
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
1,4-diphenylbenzene;1H-indene
CID 156634731
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1H-benzo[a]phenalene?
The IUPAC name of 7-phenyl-1H-benzo[a]phenalene (CID 123339863) is 7-phenyl-1H-benzo[a]phenalene.
What is the SMILES notation for 7-phenyl-1H-benzo[a]phenalene?
The canonical SMILES for 7-phenyl-1H-benzo[a]phenalene is C1=Cc2cccc3c(-c4ccccc4)c4ccccc4c(c23)C1.
What is the InChIKey of 7-phenyl-1H-benzo[a]phenalene?
The InChIKey is LSTLREJQGZYOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16/c1-2-8-16(9-3-1)22-19-13-5-4-12-18(19)20-14-6-10-17-11-7-15-21(22)23(17)20/h1-13,15H,14H2.
What are the key properties of 7-phenyl-1H-benzo[a]phenalene?
7-phenyl-1H-benzo[a]phenalene has a molecular weight of 292.38 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1H-benzo[a]phenalene is sourced from PubChem (CID 123339863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).