1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole

C18H15P — CID 19043656

IUPAC1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole
SMILESC1=CCCC(c2cccc3[pH]c4ccccc4c23)=C1
InChIInChI=1S/C18H15P/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-2,4-7,9-12,19H,3,8H2
InChIKeyKFHHJQDUWQVOJE-UHFFFAOYSA-N
MW262.29 g/mol
LogP5.76
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole

1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole (PubChem CID 19043656) has the molecular formula C18H15P and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole
PubChem CID19043656
Molecular FormulaC18H15P
Molecular Weight262.29 g/mol
Exact Mass262.09
IUPAC Name1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole
SMILESC1=CCCC(c2cccc3[pH]c4ccccc4c23)=C1
InChIInChI=1S/C18H15P/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-2,4-7,9-12,19H,3,8H2
InChIKeyKFHHJQDUWQVOJE-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
1-(5H-benzo[b]phosphindol-3-yl)-5H-benzo[b]phosphindole
CID 54152105
3-cyclohexa-1,3-dien-1-yl-2-methylaniline
CID 166812427
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
(3-cyclohexa-1,3-dien-1-yl-2-methoxyphenyl)boronic acid;ethane
CID 144815761
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)aniline
CID 154955078
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 166690234
2-cyclohexa-1,3-dien-1-yl-N-(2-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 118534302
6-[10-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
CID 88562000

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole (CID 19043656) is 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole is C1=CCCC(c2cccc3[pH]c4ccccc4c23)=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole?
The InChIKey is KFHHJQDUWQVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-2,4-7,9-12,19H,3,8H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole?
1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole has a molecular weight of 262.29 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole is sourced from PubChem (CID 19043656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).