1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine

C65H43N3S2 — CID 155172917

IUPAC1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5c6ccccc6cc6sc7ccccc7c56)cc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6)c4c3c2)cc1
InChIInChI=1S/C65H43N3S2/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)50-36-37-59-55(40-50)63-57(68(49-29-11-4-12-30-49)56-34-19-22-45-38-43-20-13-15-31-52(43)62(45)56)41-51(42-61(63)70-59)67(48-27-9-3-10-28-48)65-53-32-16-14-21-44(53)39-60-64(65)54-33-17-18-35-58(54)69-60/h1-37,39-42H,38H2
InChIKeyUTXASGYGUZHZHK-UHFFFAOYSA-N
MW930.21 g/mol
LogP19.56
Rot. Bonds9

About 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine

1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine (PubChem CID 155172917) has the molecular formula C65H43N3S2 and a molecular weight of 930.21 g/mol. Its IUPAC name is 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine.

Molecular Properties

Compound Name1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
PubChem CID155172917
Molecular FormulaC65H43N3S2
Molecular Weight930.21 g/mol
Exact Mass929.29
IUPAC Name1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5c6ccccc6cc6sc7ccccc7c56)cc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6)c4c3c2)cc1
InChIInChI=1S/C65H43N3S2/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)50-36-37-59-55(40-50)63-57(68(49-29-11-4-12-30-49)56-34-19-22-45-38-43-20-13-15-31-52(43)62(45)56)41-51(42-61(63)70-59)67(48-27-9-3-10-28-48)65-53-32-16-14-21-44(53)39-60-64(65)54-33-17-18-35-58(54)69-60/h1-37,39-42H,38H2
InChIKeyUTXASGYGUZHZHK-UHFFFAOYSA-N
XLogP19.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.21
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine with MolForge

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Related Compounds

1-N-dibenzofuran-1-yl-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 155172737
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine
CID 147650756
1-N,3-N-diphenyl-1-N,3-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856317
8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine
CID 155483164
4-N'-dibenzothiophen-1-yl-4-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775519
7-N-(7H-benzo[c]fluoren-5-yl)-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 130327132
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856335
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine
CID 145007022

Frequently Asked Questions

What is the IUPAC name of 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The IUPAC name of 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine (CID 155172917) is 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine.
What is the SMILES notation for 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The canonical SMILES for 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine is c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5c6ccccc6cc6sc7ccccc7c56)cc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6)c4c3c2)cc1.
What is the InChIKey of 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The InChIKey is UTXASGYGUZHZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3S2/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)50-36-37-59-55(40-50)63-57(68(49-29-11-4-12-30-49)56-34-19-22-45-38-43-20-13-15-31-52(43)62(45)56)41-51(42-61(63)70-59)67(48-27-9-3-10-28-48)65-53-32-16-14-21-44(53)39-60-64(65)54-33-17-18-35-58(54)69-60/h1-37,39-42H,38H2.
What are the key properties of 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine has a molecular weight of 930.21 g/mol, XLogP of 19.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(9H-fluoren-4-yl)-3-N-naphtho[3,2-b][1]benzothiol-11-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine is sourced from PubChem (CID 155172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).