12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

C36H26N2 — CID 146390187

IUPAC12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)=CCC1
InChIInChI=1S/C36H26N2/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-24-23-31-29-15-7-9-17-33(29)37(35(31)36(32)38)27-13-5-2-6-14-27/h2-3,5-24H,1,4H2
InChIKeyHPKXERXKJRDKRL-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.61
Rot. Bonds3

About 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 146390187) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID146390187
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)=CCC1
InChIInChI=1S/C36H26N2/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-24-23-31-29-15-7-9-17-33(29)37(35(31)36(32)38)27-13-5-2-6-14-27/h2-3,5-24H,1,4H2
InChIKeyHPKXERXKJRDKRL-UHFFFAOYSA-N
XLogP9.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
12-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 130185260
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
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
CID 175264939
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
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
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
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
1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole
CID 170375461

Frequently Asked Questions

What is the IUPAC name of 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (CID 146390187) is 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is C1=CC(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)=CCC1.
What is the InChIKey of 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is HPKXERXKJRDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-24-23-31-29-15-7-9-17-33(29)37(35(31)36(32)38)27-13-5-2-6-14-27/h2-3,5-24H,1,4H2.
What are the key properties of 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 146390187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).