N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C49H36N2S — CID 144587886

IUPACN-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4sc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C49H36N2S/c1-49(2)43-21-13-12-20-40(43)41-28-27-39(31-44(41)49)50(36-16-8-4-9-17-36)38-25-22-33(23-26-38)35-24-29-45-42(30-35)48-46(51(45)37-18-10-5-11-19-37)32-47(52-48)34-14-6-3-7-15-34/h3-32H,1-2H3
InChIKeyMNWYWGLRJXMLJD-UHFFFAOYSA-N
MW684.91 g/mol
LogP13.96
Rot. Bonds6

About N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 144587886) has the molecular formula C49H36N2S and a molecular weight of 684.91 g/mol. Its IUPAC name is N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID144587886
Molecular FormulaC49H36N2S
Molecular Weight684.91 g/mol
Exact Mass684.26
IUPAC NameN-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4sc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C49H36N2S/c1-49(2)43-21-13-12-20-40(43)41-28-27-39(31-44(41)49)50(36-16-8-4-9-17-36)38-25-22-33(23-26-38)35-24-29-45-42(30-35)48-46(51(45)37-18-10-5-11-19-37)32-47(52-48)34-14-6-3-7-15-34/h3-32H,1-2H3
InChIKeyMNWYWGLRJXMLJD-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.91
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-6-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 58384032
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
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 144587886) is N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4sc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is MNWYWGLRJXMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2S/c1-49(2)43-21-13-12-20-40(43)41-28-27-39(31-44(41)49)50(36-16-8-4-9-17-36)38-25-22-33(23-26-38)35-24-29-45-42(30-35)48-46(51(45)37-18-10-5-11-19-37)32-47(52-48)34-14-6-3-7-15-34/h3-32H,1-2H3.
What are the key properties of N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 684.91 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 144587886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).