4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

C32H37N — CID 140671960

IUPAC4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccccc4C4CCCC43)cc21
InChIInChI=1S/C32H37N/c1-3-5-20-32(21-6-4-2)28-15-9-7-12-24(28)25-19-18-23(22-29(25)32)33-30-16-10-8-13-26(30)27-14-11-17-31(27)33/h7-10,12-13,15-16,18-19,22,27,31H,3-6,11,14,17,20-21H2,1-2H3
InChIKeyXDLYHNSFHJUYFW-UHFFFAOYSA-N
MW435.66 g/mol
LogP9.12
Rot. Bonds7

About 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (PubChem CID 140671960) has the molecular formula C32H37N and a molecular weight of 435.66 g/mol. Its IUPAC name is 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
PubChem CID140671960
Molecular FormulaC32H37N
Molecular Weight435.66 g/mol
Exact Mass435.29
IUPAC Name4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccccc4C4CCCC43)cc21
InChIInChI=1S/C32H37N/c1-3-5-20-32(21-6-4-2)28-15-9-7-12-24(28)25-19-18-23(22-29(25)32)33-30-16-10-8-13-26(30)27-14-11-17-31(27)33/h7-10,12-13,15-16,18-19,22,27,31H,3-6,11,14,17,20-21H2,1-2H3
InChIKeyXDLYHNSFHJUYFW-UHFFFAOYSA-N
XLogP9.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole with MolForge

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Related Compounds

5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophene-2-carbaldehyde;5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophene-2-carbaldehyde;(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]thiophen-2-yl]prop-2-enal
CID 157129021
12-[(5E)-5-[3-(carboxymethyl)-5-[[4-(9,9-dioctylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
CID 118477676
12-[5-[3-(carboxymethyl)-5-[[4-(9,9-dioctylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
CID 123960172
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
(Z)-2-cyano-3-[7-[4-(dihexylamino)phenyl]-10-[4-(9,9-dipropylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]prop-2-enoic acid
CID 177388821
7,18-bis(9,9-didodecylfluoren-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102454874
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The IUPAC name of 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (CID 140671960) is 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The canonical SMILES for 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is CCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccccc4C4CCCC43)cc21.
What is the InChIKey of 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The InChIKey is XDLYHNSFHJUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N/c1-3-5-20-32(21-6-4-2)28-15-9-7-12-24(28)25-19-18-23(22-29(25)32)33-30-16-10-8-13-26(30)27-14-11-17-31(27)33/h7-10,12-13,15-16,18-19,22,27,31H,3-6,11,14,17,20-21H2,1-2H3.
What are the key properties of 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole has a molecular weight of 435.66 g/mol, XLogP of 9.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 140671960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).