5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole

C36H30N2 — CID 167154675

IUPAC5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole
SMILESC1=CCCC(C2=CC=CC(c3ccccc3)C2n2c3ccccc3c3c4c(ccc32)C2C=CC=CC2N4)=C1
InChIInChI=1S/C36H30N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)36(26)38-32-21-10-8-17-30(32)34-33(38)23-22-29-28-16-7-9-20-31(28)37-35(29)34/h1-5,7-14,16-23,26,28,31,36-37H,6,15H2
InChIKeyWUSLPFDDYLBRHK-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.90
Rot. Bonds3

About 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole

5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole (PubChem CID 167154675) has the molecular formula C36H30N2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole
PubChem CID167154675
Molecular FormulaC36H30N2
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole
SMILESC1=CCCC(C2=CC=CC(c3ccccc3)C2n2c3ccccc3c3c4c(ccc32)C2C=CC=CC2N4)=C1
InChIInChI=1S/C36H30N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)36(26)38-32-21-10-8-17-30(32)34-33(38)23-22-29-28-16-7-9-20-31(28)37-35(29)34/h1-5,7-14,16-23,26,28,31,36-37H,6,15H2
InChIKeyWUSLPFDDYLBRHK-UHFFFAOYSA-N
XLogP8.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole with MolForge

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Related Compounds

(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
CID 140656633
9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
CID 90929043
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 71016335
3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
CID 88574118
3-[6-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2-dihydropyrimidin-6-yl)cyclohexa-1,5-dien-1-yl]-9-[3-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)phenyl]-3,4-dihydrocarbazole
CID 118123081
(5Z,7Z,9Z,11Z)-5-(4a,8a-dihydronaphthalen-1-yl)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-4a,12a-dihydrobenzo[10]annulene
CID 140729256
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
4-[9-(2,3,8a,9,9a,10a-hexahydro-1H-xanthen-9-yl)-8-cyclohexa-1,3-dien-1-yl-8a,9,9a,10a-tetrahydro-4aH-xanthen-3-yl]-9-phenylcarbazole
CID 134527338
9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
CID 129022093
5-[6-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-4,5-dihydropyrimidin-2-yl)-2,3-dihydropyridin-2-yl]-12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 70912348
9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole
CID 145335068
14-(3-cyclohexa-1,3-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 174297623

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole?
The IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole (CID 167154675) is 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole?
The canonical SMILES for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole is C1=CCCC(C2=CC=CC(c3ccccc3)C2n2c3ccccc3c3c4c(ccc32)C2C=CC=CC2N4)=C1.
What is the InChIKey of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole?
The InChIKey is WUSLPFDDYLBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)36(26)38-32-21-10-8-17-30(32)34-33(38)23-22-29-28-16-7-9-20-31(28)37-35(29)34/h1-5,7-14,16-23,26,28,31,36-37H,6,15H2.
What are the key properties of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole?
5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole has a molecular weight of 490.65 g/mol, XLogP of 8.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole is sourced from PubChem (CID 167154675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).