N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine

C48H35NS — CID 170277077

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccsc4c3)cc21
InChIInChI=1S/C48H35NS/c1-47(2)42-19-11-9-17-38(42)40-25-23-35(29-44(40)47)49(37-22-21-32-27-28-50-46(32)31-37)36-24-26-41-39-18-10-12-20-43(39)48(45(41)30-36,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-31H,1-2H3
InChIKeyMBOQBYGLMHWKCE-UHFFFAOYSA-N
MW657.88 g/mol
LogP13.04
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine (PubChem CID 170277077) has the molecular formula C48H35NS and a molecular weight of 657.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
PubChem CID170277077
Molecular FormulaC48H35NS
Molecular Weight657.88 g/mol
Exact Mass657.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccsc4c3)cc21
InChIInChI=1S/C48H35NS/c1-47(2)42-19-11-9-17-38(42)40-25-23-35(29-44(40)47)49(37-22-21-32-27-28-50-46(32)31-37)36-24-26-41-39-18-10-12-20-43(39)48(45(41)30-36,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-31H,1-2H3
InChIKeyMBOQBYGLMHWKCE-UHFFFAOYSA-N
XLogP13.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.88
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099071
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481221
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099024
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine (CID 170277077) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccsc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine?
The InChIKey is MBOQBYGLMHWKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NS/c1-47(2)42-19-11-9-17-38(42)40-25-23-35(29-44(40)47)49(37-22-21-32-27-28-50-46(32)31-37)36-24-26-41-39-18-10-12-20-43(39)48(45(41)30-36,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine has a molecular weight of 657.88 g/mol, XLogP of 13.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine is sourced from PubChem (CID 170277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).