cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole

C32H29N — CID 175264939

IUPACcyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
SMILESC1=CC(c2ccccc2)=CCC1.CCc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C20H17N.C12H12/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-14H,2H2,1H3;1,3-5,7-10H,2,6H2
InChIKeyMPMSTAJOPMPMID-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.77
Rot. Bonds3

About cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole

cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole (PubChem CID 175264939) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
PubChem CID175264939
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Namecyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
SMILESC1=CC(c2ccccc2)=CCC1.CCc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C20H17N.C12H12/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-14H,2H2,1H3;1,3-5,7-10H,2,6H2
InChIKeyMPMSTAJOPMPMID-UHFFFAOYSA-N
XLogP8.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063272
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063273
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-19-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703086
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole?
The IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole (CID 175264939) is cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole?
The canonical SMILES for cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole is C1=CC(c2ccccc2)=CCC1.CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole?
The InChIKey is MPMSTAJOPMPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N.C12H12/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-14H,2H2,1H3;1,3-5,7-10H,2,6H2.
What are the key properties of cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole?
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole has a molecular weight of 427.59 g/mol, XLogP of 8.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole is sourced from PubChem (CID 175264939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).