7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine

C69H46N2S — CID 166659193

IUPAC7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5ccccc5)c34)ccc21
InChIInChI=1S/C69H46N2S/c1-68(45-20-5-2-6-21-45)58-30-15-11-28-53(58)56-42-48(37-40-59(56)68)70(49-38-41-63-57(43-49)54-29-14-18-33-62(54)69(63)60-31-16-12-26-51(60)52-27-13-17-32-61(52)69)50-36-39-55-66(44-50)72-65-35-19-34-64(67(55)65)71(46-22-7-3-8-23-46)47-24-9-4-10-25-47/h2-44H,1H3
InChIKeyROWZFDYBPNPGJZ-UHFFFAOYSA-N
MW935.21 g/mol
LogP18.67
Rot. Bonds7

About 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine

7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine (PubChem CID 166659193) has the molecular formula C69H46N2S and a molecular weight of 935.21 g/mol. Its IUPAC name is 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine.

Molecular Properties

Compound Name7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine
PubChem CID166659193
Molecular FormulaC69H46N2S
Molecular Weight935.21 g/mol
Exact Mass934.34
IUPAC Name7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5ccccc5)c34)ccc21
InChIInChI=1S/C69H46N2S/c1-68(45-20-5-2-6-21-45)58-30-15-11-28-53(58)56-42-48(37-40-59(56)68)70(49-38-41-63-57(43-49)54-29-14-18-33-62(54)69(63)60-31-16-12-26-51(60)52-27-13-17-32-61(52)69)50-36-39-55-66(44-50)72-65-35-19-34-64(67(55)65)71(46-22-7-3-8-23-46)47-24-9-4-10-25-47/h2-44H,1H3
InChIKeyROWZFDYBPNPGJZ-UHFFFAOYSA-N
XLogP18.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.21
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine with MolForge

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Related Compounds

N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 170119312
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 167177582
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308789
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 163884895
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827

Frequently Asked Questions

What is the IUPAC name of 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine?
The IUPAC name of 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine (CID 166659193) is 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine.
What is the SMILES notation for 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine?
The canonical SMILES for 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5ccccc5)c34)ccc21.
What is the InChIKey of 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine?
The InChIKey is ROWZFDYBPNPGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2S/c1-68(45-20-5-2-6-21-45)58-30-15-11-28-53(58)56-42-48(37-40-59(56)68)70(49-38-41-63-57(43-49)54-29-14-18-33-62(54)69(63)60-31-16-12-26-51(60)52-27-13-17-32-61(52)69)50-36-39-55-66(44-50)72-65-35-19-34-64(67(55)65)71(46-22-7-3-8-23-46)47-24-9-4-10-25-47/h2-44H,1H3.
What are the key properties of 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine?
7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine has a molecular weight of 935.21 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine is sourced from PubChem (CID 166659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).