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

C66H50N2S3 — CID 102025534

IUPAC7-[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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)s5)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H50N2S3/c1-65(2)55-39-43(25-29-51(55)53-31-27-49(41-57(53)65)67(45-17-9-5-10-18-45)46-19-11-6-12-20-46)59-33-35-61(69-59)63-37-38-64(71-63)62-36-34-60(70-62)44-26-30-52-54-32-28-50(42-58(54)66(3,4)56(52)40-44)68(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-42H,1-4H3
InChIKeyMCDBYHJRXGUDRX-UHFFFAOYSA-N
MW967.34 g/mol
LogP20.09
Rot. Bonds10

About 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

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 (PubChem CID 102025534) has the molecular formula C66H50N2S3 and a molecular weight of 967.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID102025534
Molecular FormulaC66H50N2S3
Molecular Weight967.34 g/mol
Exact Mass966.31
IUPAC Name7-[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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)s5)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H50N2S3/c1-65(2)55-39-43(25-29-51(55)53-31-27-49(41-57(53)65)67(45-17-9-5-10-18-45)46-19-11-6-12-20-46)59-33-35-61(69-59)63-37-38-64(71-63)62-36-34-60(70-62)44-26-30-52-54-32-28-50(42-58(54)66(3,4)56(52)40-44)68(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-42H,1-4H3
InChIKeyMCDBYHJRXGUDRX-UHFFFAOYSA-N
XLogP20.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.34
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[4-[5-[5-[5-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139939126
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159025107
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 102025534) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)s5)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is MCDBYHJRXGUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2S3/c1-65(2)55-39-43(25-29-51(55)53-31-27-49(41-57(53)65)67(45-17-9-5-10-18-45)46-19-11-6-12-20-46)59-33-35-61(69-59)63-37-38-64(71-63)62-36-34-60(70-62)44-26-30-52-54-32-28-50(42-58(54)66(3,4)56(52)40-44)68(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-42H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 967.34 g/mol, XLogP of 20.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102025534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).