8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine

C47H33NS2 — CID 90076251

IUPAC8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine
SMILESCC1(C)c2cc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)ccc2-c2ccc(-c3csc4ccccc34)cc21
InChIInChI=1S/C47H33NS2/c1-47(2)42-26-31(17-21-36(42)37-22-18-32(27-43(37)47)41-29-49-44-16-10-9-15-38(41)44)30-19-23-45-39(25-30)40-28-35(20-24-46(40)50-45)48(33-11-5-3-6-12-33)34-13-7-4-8-14-34/h3-29H,1-2H3
InChIKeyGNMMDJWBZPWCGB-UHFFFAOYSA-N
MW675.92 g/mol
LogP14.38
Rot. Bonds5

About 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine

8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine (PubChem CID 90076251) has the molecular formula C47H33NS2 and a molecular weight of 675.92 g/mol. Its IUPAC name is 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine
PubChem CID90076251
Molecular FormulaC47H33NS2
Molecular Weight675.92 g/mol
Exact Mass675.21
IUPAC Name8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine
SMILESCC1(C)c2cc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)ccc2-c2ccc(-c3csc4ccccc34)cc21
InChIInChI=1S/C47H33NS2/c1-47(2)42-26-31(17-21-36(42)37-22-18-32(27-43(37)47)41-29-49-44-16-10-9-15-38(41)44)30-19-23-45-39(25-30)40-28-35(20-24-46(40)50-45)48(33-11-5-3-6-12-33)34-13-7-4-8-14-34/h3-29H,1-2H3
InChIKeyGNMMDJWBZPWCGB-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.92
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine with MolForge

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Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
CID 146588933
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
2-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-dibenzothiophen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;2-dibenzothiophen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 163755516
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547

Frequently Asked Questions

What is the IUPAC name of 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine?
The IUPAC name of 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine (CID 90076251) is 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine.
What is the SMILES notation for 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine?
The canonical SMILES for 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine is CC1(C)c2cc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)ccc2-c2ccc(-c3csc4ccccc34)cc21.
What is the InChIKey of 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine?
The InChIKey is GNMMDJWBZPWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS2/c1-47(2)42-26-31(17-21-36(42)37-22-18-32(27-43(37)47)41-29-49-44-16-10-9-15-38(41)44)30-19-23-45-39(25-30)40-28-35(20-24-46(40)50-45)48(33-11-5-3-6-12-33)34-13-7-4-8-14-34/h3-29H,1-2H3.
What are the key properties of 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine?
8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine has a molecular weight of 675.92 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine is sourced from PubChem (CID 90076251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).