2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine

C46H38N2S — CID 139840467

IUPAC2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21
InChIInChI=1S/C46H38N2S/c1-45(2)39-21-13-11-19-35(39)37-25-23-33(29-41(37)45)47(31-15-7-5-8-16-31)43-27-28-44(49-43)48(32-17-9-6-10-18-32)34-24-26-38-36-20-12-14-22-40(36)46(3,4)42(38)30-34/h5-30H,1-4H3
InChIKeyDQUSBOYCJYZKOX-UHFFFAOYSA-N
MW650.89 g/mol
LogP13.30
Rot. Bonds6

About 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine

2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine (PubChem CID 139840467) has the molecular formula C46H38N2S and a molecular weight of 650.89 g/mol. Its IUPAC name is 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine
PubChem CID139840467
Molecular FormulaC46H38N2S
Molecular Weight650.89 g/mol
Exact Mass650.28
IUPAC Name2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21
InChIInChI=1S/C46H38N2S/c1-45(2)39-21-13-11-19-35(39)37-25-23-33(29-41(37)45)47(31-15-7-5-8-16-31)43-27-28-44(49-43)48(32-17-9-6-10-18-32)34-24-26-38-36-20-12-14-22-40(36)46(3,4)42(38)30-34/h5-30H,1-4H3
InChIKeyDQUSBOYCJYZKOX-UHFFFAOYSA-N
XLogP13.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.89
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
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
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
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 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine?
The IUPAC name of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine (CID 139840467) is 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21.
What is the InChIKey of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine?
The InChIKey is DQUSBOYCJYZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2S/c1-45(2)39-21-13-11-19-35(39)37-25-23-33(29-41(37)45)47(31-15-7-5-8-16-31)43-27-28-44(49-43)48(32-17-9-6-10-18-32)34-24-26-38-36-20-12-14-22-40(36)46(3,4)42(38)30-34/h5-30H,1-4H3.
What are the key properties of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine?
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine has a molecular weight of 650.89 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenylthiophene-2,5-diamine is sourced from PubChem (CID 139840467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).