N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine

C51H33NS — CID 134551386

IUPACN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)cc2-c2ccccc2)cc1
InChIInChI=1S/C51H33NS/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)52(36-20-8-3-9-21-36)38-29-31-41-40-22-10-13-25-45(40)51(47(41)33-38)46-26-14-11-23-42(46)50-49(51)43-24-12-15-27-48(43)53-50/h1-33H
InChIKeyVOFPOEJKTLWPOH-UHFFFAOYSA-N
MW691.90 g/mol
LogP14.05
Rot. Bonds5

About N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine

N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine (PubChem CID 134551386) has the molecular formula C51H33NS and a molecular weight of 691.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
PubChem CID134551386
Molecular FormulaC51H33NS
Molecular Weight691.90 g/mol
Exact Mass691.23
IUPAC NameN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)cc2-c2ccccc2)cc1
InChIInChI=1S/C51H33NS/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)52(36-20-8-3-9-21-36)38-29-31-41-40-22-10-13-25-45(40)51(47(41)33-38)46-26-14-11-23-42(46)50-49(51)43-24-12-15-27-48(43)53-50/h1-33H
InChIKeyVOFPOEJKTLWPOH-UHFFFAOYSA-N
XLogP14.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.90
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551351
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)dibenzothiophen-2-amine
CID 134551407
N-[4-phenyl-3-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 168788810
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine
CID 159273209
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine (CID 134551386) is N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The InChIKey is VOFPOEJKTLWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NS/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)52(36-20-8-3-9-21-36)38-29-31-41-40-22-10-13-25-45(40)51(47(41)33-38)46-26-14-11-23-42(46)50-49(51)43-24-12-15-27-48(43)53-50/h1-33H.
What are the key properties of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine has a molecular weight of 691.90 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine is sourced from PubChem (CID 134551386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).