6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine

C99H75N3S3 — CID 101163121

IUPAC6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine
SMILESCCC1c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)c4)s3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C99H75N3S3/c1-4-79-82-43-37-64(58-88(82)91-61-76(40-46-85(79)91)100(70-25-13-7-14-26-70)71-27-15-8-16-28-71)94-49-52-97(103-94)67-55-68(98-53-50-95(104-98)65-38-44-83-80(5-2)86-47-41-77(62-92(86)89(83)59-65)101(72-29-17-9-18-30-72)73-31-19-10-20-32-73)57-69(56-67)99-54-51-96(105-99)66-39-45-84-81(6-3)87-48-42-78(63-93(87)90(84)60-66)102(74-33-21-11-22-34-74)75-35-23-12-24-36-75/h7-63,79-81H,4-6H2,1-3H3
InChIKeyWYHKQMPQSVBKQL-UHFFFAOYSA-N
MW1402.91 g/mol
LogP29.85
Rot. Bonds18

About 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine

6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine (PubChem CID 101163121) has the molecular formula C99H75N3S3 and a molecular weight of 1402.91 g/mol. Its IUPAC name is 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine.

Molecular Properties

Compound Name6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine
PubChem CID101163121
Molecular FormulaC99H75N3S3
Molecular Weight1402.91 g/mol
Exact Mass1401.51
IUPAC Name6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine
SMILESCCC1c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)c4)s3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C99H75N3S3/c1-4-79-82-43-37-64(58-88(82)91-61-76(40-46-85(79)91)100(70-25-13-7-14-26-70)71-27-15-8-16-28-71)94-49-52-97(103-94)67-55-68(98-53-50-95(104-98)65-38-44-83-80(5-2)86-47-41-77(62-92(86)89(83)59-65)101(72-29-17-9-18-30-72)73-31-19-10-20-32-73)57-69(56-67)99-54-51-96(105-99)66-39-45-84-81(6-3)87-48-42-78(63-93(87)90(84)60-66)102(74-33-21-11-22-34-74)75-35-23-12-24-36-75/h7-63,79-81H,4-6H2,1-3H3
InChIKeyWYHKQMPQSVBKQL-UHFFFAOYSA-N
XLogP29.85
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.91
LogP ≤ 529.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine with MolForge

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Related Compounds

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CID 164820260
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
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7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
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CID 58729753

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine?
The IUPAC name of 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine (CID 101163121) is 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine.
What is the SMILES notation for 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine?
The canonical SMILES for 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine is CCC1c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)cc(-c5ccc(-c6ccc7c(c6)-c6cc(N(c8ccccc8)c8ccccc8)ccc6C7CC)s5)c4)s3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine?
The InChIKey is WYHKQMPQSVBKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H75N3S3/c1-4-79-82-43-37-64(58-88(82)91-61-76(40-46-85(79)91)100(70-25-13-7-14-26-70)71-27-15-8-16-28-71)94-49-52-97(103-94)67-55-68(98-53-50-95(104-98)65-38-44-83-80(5-2)86-47-41-77(62-92(86)89(83)59-65)101(72-29-17-9-18-30-72)73-31-19-10-20-32-73)57-69(56-67)99-54-51-96(105-99)66-39-45-84-81(6-3)87-48-42-78(63-93(87)90(84)60-66)102(74-33-21-11-22-34-74)75-35-23-12-24-36-75/h7-63,79-81H,4-6H2,1-3H3.
What are the key properties of 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine?
6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine has a molecular weight of 1402.91 g/mol, XLogP of 29.85, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3,5-bis[5-[9-ethyl-6-(N-phenylanilino)-9H-fluoren-3-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-9-ethyl-N,N-diphenyl-9H-fluoren-3-amine is sourced from PubChem (CID 101163121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).