2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine

C61H39NS — CID 134195004

IUPAC2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C61H39NS/c1-4-16-40(17-5-1)43-28-33-46(34-29-43)62(47-35-30-44(31-36-47)41-18-6-2-7-19-41)56-39-55-58(59-51-24-12-15-27-57(51)63-60(56)59)50-23-11-14-26-53(50)61(55)52-25-13-10-22-48(52)49-37-32-45(38-54(49)61)42-20-8-3-9-21-42/h1-39H
InChIKeyFZZKLDUHHADQTB-UHFFFAOYSA-N
MW818.06 g/mol
LogP16.87
Rot. Bonds6

About 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine

2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine (PubChem CID 134195004) has the molecular formula C61H39NS and a molecular weight of 818.06 g/mol. Its IUPAC name is 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine.

Molecular Properties

Compound Name2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
PubChem CID134195004
Molecular FormulaC61H39NS
Molecular Weight818.06 g/mol
Exact Mass817.28
IUPAC Name2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C61H39NS/c1-4-16-40(17-5-1)43-28-33-46(34-29-43)62(47-35-30-44(31-36-47)41-18-6-2-7-19-41)56-39-55-58(59-51-24-12-15-27-57(51)63-60(56)59)50-23-11-14-26-53(50)61(55)52-25-13-10-22-48(52)49-37-32-45(38-54(49)61)42-20-8-3-9-21-42/h1-39H
InChIKeyFZZKLDUHHADQTB-UHFFFAOYSA-N
XLogP16.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.06
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine with MolForge

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Related Compounds

N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 122504095
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N,N,9'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzothiole]-12'-amine
CID 171401993
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine
CID 126632950
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-(9,9-dimethylfluoren-2-yl)-9'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzothiole]-12'-amine
CID 171401587
2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326040
9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776

Frequently Asked Questions

What is the IUPAC name of 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The IUPAC name of 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine (CID 134195004) is 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine.
What is the SMILES notation for 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The canonical SMILES for 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The InChIKey is FZZKLDUHHADQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NS/c1-4-16-40(17-5-1)43-28-33-46(34-29-43)62(47-35-30-44(31-36-47)41-18-6-2-7-19-41)56-39-55-58(59-51-24-12-15-27-57(51)63-60(56)59)50-23-11-14-26-53(50)61(55)52-25-13-10-22-48(52)49-37-32-45(38-54(49)61)42-20-8-3-9-21-42/h1-39H.
What are the key properties of 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine has a molecular weight of 818.06 g/mol, XLogP of 16.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine is sourced from PubChem (CID 134195004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).