2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine

C34H30N2S — CID 155467276

IUPAC2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine
SMILESCC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c(N)c3N)cccc21
InChIInChI=1S/C34H30N2S/c1-33(2)23-15-7-5-11-19(23)27-21(13-9-17-25(27)33)31-29(35)30(36)32(37-31)22-14-10-18-26-28(22)20-12-6-8-16-24(20)34(26,3)4/h5-18H,35-36H2,1-4H3
InChIKeyFVSCJQWJRVILJT-UHFFFAOYSA-N
MW498.70 g/mol
LogP8.86
Rot. Bonds2

About 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine

2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine (PubChem CID 155467276) has the molecular formula C34H30N2S and a molecular weight of 498.70 g/mol. Its IUPAC name is 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine.

Molecular Properties

Compound Name2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine
PubChem CID155467276
Molecular FormulaC34H30N2S
Molecular Weight498.70 g/mol
Exact Mass498.21
IUPAC Name2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine
SMILESCC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c(N)c3N)cccc21
InChIInChI=1S/C34H30N2S/c1-33(2)23-15-7-5-11-19(23)27-21(13-9-17-25(27)33)31-29(35)30(36)32(37-31)22-14-10-18-26-28(22)20-12-6-8-16-24(20)34(26,3)4/h5-18H,35-36H2,1-4H3
InChIKeyFVSCJQWJRVILJT-UHFFFAOYSA-N
XLogP8.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
CID 90264164
9,9-dimethylfluorene-4-carbonitrile
CID 67375715
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
CID 142318096
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine?
The IUPAC name of 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine (CID 155467276) is 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine.
What is the SMILES notation for 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine?
The canonical SMILES for 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine is CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c(N)c3N)cccc21.
What is the InChIKey of 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine?
The InChIKey is FVSCJQWJRVILJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2S/c1-33(2)23-15-7-5-11-19(23)27-21(13-9-17-25(27)33)31-29(35)30(36)32(37-31)22-14-10-18-26-28(22)20-12-6-8-16-24(20)34(26,3)4/h5-18H,35-36H2,1-4H3.
What are the key properties of 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine?
2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine has a molecular weight of 498.70 g/mol, XLogP of 8.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine is sourced from PubChem (CID 155467276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).