9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole

C36H31N — CID 134390909

IUPAC9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
SMILESC1=CCC(n2c3ccccc3c3cc(C4C=c5c6c(c7c(c5=CC4)C=CCC7)CCC=C6)ccc32)C=C1
InChIInChI=1S/C36H31N/c1-2-10-26(11-3-1)37-35-17-9-8-16-32(35)34-23-25(19-21-36(34)37)24-18-20-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)33(31)22-24/h1-3,5,7-10,14-17,19-24,26H,4,6,11-13,18H2
InChIKeyAKKFSXJDNLSXOT-UHFFFAOYSA-N
MW477.65 g/mol
LogP7.52
Rot. Bonds2

About 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole

9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole (PubChem CID 134390909) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
PubChem CID134390909
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
SMILESC1=CCC(n2c3ccccc3c3cc(C4C=c5c6c(c7c(c5=CC4)C=CCC7)CCC=C6)ccc32)C=C1
InChIInChI=1S/C36H31N/c1-2-10-26(11-3-1)37-35-17-9-8-16-32(35)34-23-25(19-21-36(34)37)24-18-20-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)33(31)22-24/h1-3,5,7-10,14-17,19-24,26H,4,6,11-13,18H2
InChIKeyAKKFSXJDNLSXOT-UHFFFAOYSA-N
XLogP7.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole
CID 174103942
5-cyclohexa-2,4-dien-1-yl-2-[8-(9-phenyl-2,3-dihydrocarbazol-3-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 142347167
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
9-(2,3,6,7-tetrahydrodibenzofuran-2-yl)carbazole
CID 163850112
9-cyclohexa-2,4-dien-1-yl-3-[3-(8,9-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
CID 163418716
9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
CID 145313772
9-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-1,5-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-N-phenylcarbazol-3-amine
CID 70973422

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole (CID 134390909) is 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole is C1=CCC(n2c3ccccc3c3cc(C4C=c5c6c(c7c(c5=CC4)C=CCC7)CCC=C6)ccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole?
The InChIKey is AKKFSXJDNLSXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-2-10-26(11-3-1)37-35-17-9-8-16-32(35)34-23-25(19-21-36(34)37)24-18-20-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)33(31)22-24/h1-3,5,7-10,14-17,19-24,26H,4,6,11-13,18H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole?
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole has a molecular weight of 477.65 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole is sourced from PubChem (CID 134390909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).