5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole

C39H36N2 — CID 155483123

IUPAC5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole
SMILESCC1(C)C2=C(C=CC(n3c4c(c5ccccc53)CC3C(=C4)C4C=CC=CC4N3C3=CCCC=C3)C2)c2ccccc21
InChIInChI=1S/C39H36N2/c1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h4,6-21,24,26,29,35,37H,3,5,22-23H2,1-2H3
InChIKeyRAVWZHPKGWAEIJ-UHFFFAOYSA-N
MW532.73 g/mol
LogP8.86
Rot. Bonds2

About 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole

5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole (PubChem CID 155483123) has the molecular formula C39H36N2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole
PubChem CID155483123
Molecular FormulaC39H36N2
Molecular Weight532.73 g/mol
Exact Mass532.29
IUPAC Name5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole
SMILESCC1(C)C2=C(C=CC(n3c4c(c5ccccc53)CC3C(=C4)C4C=CC=CC4N3C3=CCCC=C3)C2)c2ccccc21
InChIInChI=1S/C39H36N2/c1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h4,6-21,24,26,29,35,37H,3,5,22-23H2,1-2H3
InChIKeyRAVWZHPKGWAEIJ-UHFFFAOYSA-N
XLogP8.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
12-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-11-methyl-6-[2-(2-methylphenyl)propan-2-yl]-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 144726024
5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 147988073
3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-13-(9,9-dimethylfluoren-2-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
CID 88966240
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N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
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CID 137420875
7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
CID 155005585
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N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
CID 166649425
9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole (CID 155483123) is 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole is CC1(C)C2=C(C=CC(n3c4c(c5ccccc53)CC3C(=C4)C4C=CC=CC4N3C3=CCCC=C3)C2)c2ccccc21.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is RAVWZHPKGWAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2/c1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h4,6-21,24,26,29,35,37H,3,5,22-23H2,1-2H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole?
5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 532.73 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-11-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4a,5a,6,12b-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 155483123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).