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

C23H16 — CID 158949203

IUPAC5-phenyl-7H-benzo[a]phenalene
SMILESc1ccc(-c2cc3c4c(cccc4c2)-c2ccccc2C3)cc1
InChIInChI=1S/C23H16/c1-2-7-16(8-3-1)19-14-18-10-6-12-22-21-11-5-4-9-17(21)13-20(15-19)23(18)22/h1-12,14-15H,13H2
InChIKeyAVLYOPLEKCWBQM-UHFFFAOYSA-N
MW292.38 g/mol
LogP6.08
Rot. Bonds1

About 5-phenyl-7H-benzo[a]phenalene

5-phenyl-7H-benzo[a]phenalene (PubChem CID 158949203) has the molecular formula C23H16 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-phenyl-7H-benzo[a]phenalene.

Molecular Properties

Compound Name5-phenyl-7H-benzo[a]phenalene
PubChem CID158949203
Molecular FormulaC23H16
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name5-phenyl-7H-benzo[a]phenalene
SMILESc1ccc(-c2cc3c4c(cccc4c2)-c2ccccc2C3)cc1
InChIInChI=1S/C23H16/c1-2-7-16(8-3-1)19-14-18-10-6-12-22-21-11-5-4-9-17(21)13-20(15-19)23(18)22/h1-12,14-15H,13H2
InChIKeyAVLYOPLEKCWBQM-UHFFFAOYSA-N
XLogP6.08
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 ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
anthracene;fluoranthene;9H-fluorene
CID 162240077
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
1,1'-biphenyl;9H-fluorene;phenol
CID 161306435
3,6,25,28-tetraphenylheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5(10),6,8,13,15,17,19(27),21(26),22,24-tridecaene
CID 101360093
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
CID 164833806
9H-fluorene;oxophosphane
CID 174601741
9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 171447247
19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123937708

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7H-benzo[a]phenalene?
The IUPAC name of 5-phenyl-7H-benzo[a]phenalene (CID 158949203) is 5-phenyl-7H-benzo[a]phenalene.
What is the SMILES notation for 5-phenyl-7H-benzo[a]phenalene?
The canonical SMILES for 5-phenyl-7H-benzo[a]phenalene is c1ccc(-c2cc3c4c(cccc4c2)-c2ccccc2C3)cc1.
What is the InChIKey of 5-phenyl-7H-benzo[a]phenalene?
The InChIKey is AVLYOPLEKCWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16/c1-2-7-16(8-3-1)19-14-18-10-6-12-22-21-11-5-4-9-17(21)13-20(15-19)23(18)22/h1-12,14-15H,13H2.
What are the key properties of 5-phenyl-7H-benzo[a]phenalene?
5-phenyl-7H-benzo[a]phenalene has a molecular weight of 292.38 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7H-benzo[a]phenalene is sourced from PubChem (CID 158949203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).