9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole

C77H58N2S2 — CID 89093870

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(C3CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)S3)cc21
InChIInChI=1S/C77H58N2S2/c1-75(2)61-19-11-7-15-51(61)55-31-27-49(43-65(55)75)78-67-21-13-9-17-57(67)59-39-45(25-33-69(59)78)71-35-37-73(80-71)47-23-29-53-54-30-24-48(42-64(54)77(5,6)63(53)41-47)74-38-36-72(81-74)46-26-34-70-60(40-46)58-18-10-14-22-68(58)79(70)50-28-32-56-52-16-8-12-20-62(52)76(3,4)66(56)44-50/h7-37,39-44,74H,38H2,1-6H3
InChIKeyVPSRNRPMBRYQQF-UHFFFAOYSA-N
MW1075.46 g/mol
LogP21.41
Rot. Bonds6

About 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole (PubChem CID 89093870) has the molecular formula C77H58N2S2 and a molecular weight of 1075.46 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
PubChem CID89093870
Molecular FormulaC77H58N2S2
Molecular Weight1075.46 g/mol
Exact Mass1074.40
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(C3CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)S3)cc21
InChIInChI=1S/C77H58N2S2/c1-75(2)61-19-11-7-15-51(61)55-31-27-49(43-65(55)75)78-67-21-13-9-17-57(67)59-39-45(25-33-69(59)78)71-35-37-73(80-71)47-23-29-53-54-30-24-48(42-64(54)77(5,6)63(53)41-47)74-38-36-72(81-74)46-26-34-70-60(40-46)58-18-10-14-22-68(58)79(70)50-28-32-56-52-16-8-12-20-62(52)76(3,4)66(56)44-50/h7-37,39-44,74H,38H2,1-6H3
InChIKeyVPSRNRPMBRYQQF-UHFFFAOYSA-N
XLogP21.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.46
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole (CID 89093870) is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(C3CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)S3)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The InChIKey is VPSRNRPMBRYQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N2S2/c1-75(2)61-19-11-7-15-51(61)55-31-27-49(43-65(55)75)78-67-21-13-9-17-57(67)59-39-45(25-33-69(59)78)71-35-37-73(80-71)47-23-29-53-54-30-24-48(42-64(54)77(5,6)63(53)41-47)74-38-36-72(81-74)46-26-34-70-60(40-46)58-18-10-14-22-68(58)79(70)50-28-32-56-52-16-8-12-20-62(52)76(3,4)66(56)44-50/h7-37,39-44,74H,38H2,1-6H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole has a molecular weight of 1075.46 g/mol, XLogP of 21.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 89093870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).