N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine

C47H36N2S2 — CID 163957938

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3CC=C(c4cc5c(s4)c4ccccc4n5-c4ccccc4)S3)cc21
InChIInChI=1S/C47H36N2S2/c1-47(2)39-19-11-9-17-36(39)37-26-25-35(29-40(37)47)48(34-23-21-32(22-24-34)31-13-5-3-6-14-31)45-28-27-43(50-45)44-30-42-46(51-44)38-18-10-12-20-41(38)49(42)33-15-7-4-8-16-33/h3-27,29-30,45H,28H2,1-2H3
InChIKeySFALNWVIQZNOPN-UHFFFAOYSA-N
MW692.95 g/mol
LogP13.46
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine (PubChem CID 163957938) has the molecular formula C47H36N2S2 and a molecular weight of 692.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine
PubChem CID163957938
Molecular FormulaC47H36N2S2
Molecular Weight692.95 g/mol
Exact Mass692.23
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3CC=C(c4cc5c(s4)c4ccccc4n5-c4ccccc4)S3)cc21
InChIInChI=1S/C47H36N2S2/c1-47(2)39-19-11-9-17-36(39)37-26-25-35(29-40(37)47)48(34-23-21-32(22-24-34)31-13-5-3-6-14-31)45-28-27-43(50-45)44-30-42-46(51-44)38-18-10-12-20-41(38)49(42)33-15-7-4-8-16-33/h3-27,29-30,45H,28H2,1-2H3
InChIKeySFALNWVIQZNOPN-UHFFFAOYSA-N
XLogP13.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.95
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine
CID 144587893
N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 144587886
N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
CID 118189776
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine (CID 163957938) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3CC=C(c4cc5c(s4)c4ccccc4n5-c4ccccc4)S3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine?
The InChIKey is SFALNWVIQZNOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2S2/c1-47(2)39-19-11-9-17-36(39)37-26-25-35(29-40(37)47)48(34-23-21-32(22-24-34)31-13-5-3-6-14-31)45-28-27-43(50-45)44-30-42-46(51-44)38-18-10-12-20-41(38)49(42)33-15-7-4-8-16-33/h3-27,29-30,45H,28H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine has a molecular weight of 692.95 g/mol, XLogP of 13.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 163957938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).