N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

C103H67N3S2 — CID 159869804

IUPACN-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-c2ccccc2-c2ccccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C67H42N2S.C36H25NS/c1-2-17-44(18-3-1)48-19-4-5-20-49(48)52-22-7-12-29-61(52)68(46-36-33-43(34-37-46)45-35-40-65-56(41-45)54-24-9-15-32-64(54)70-65)47-38-39-51-50-21-6-10-26-57(50)67(60(51)42-47)58-27-11-14-31-63(58)69-62-30-13-8-23-53(62)55-25-16-28-59(67)66(55)69;1-2-10-26(11-3-1)29-12-4-5-13-30(29)31-14-6-8-16-34(31)37-28-21-18-25(19-22-28)27-20-23-36-33(24-27)32-15-7-9-17-35(32)38-36/h1-42H;1-24,37H
InChIKeyNSEUQIKLGKXPJG-UHFFFAOYSA-N
MW1410.82 g/mol
LogP29.10
Rot. Bonds11

About N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (PubChem CID 159869804) has the molecular formula C103H67N3S2 and a molecular weight of 1410.82 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
PubChem CID159869804
Molecular FormulaC103H67N3S2
Molecular Weight1410.82 g/mol
Exact Mass1409.48
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-c2ccccc2-c2ccccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C67H42N2S.C36H25NS/c1-2-17-44(18-3-1)48-19-4-5-20-49(48)52-22-7-12-29-61(52)68(46-36-33-43(34-37-46)45-35-40-65-56(41-45)54-24-9-15-32-64(54)70-65)47-38-39-51-50-21-6-10-26-57(50)67(60(51)42-47)58-27-11-14-31-63(58)69-62-30-13-8-23-53(62)55-25-16-28-59(67)66(55)69;1-2-10-26(11-3-1)29-12-4-5-13-30(29)31-14-6-8-16-34(31)37-28-21-18-25(19-22-28)27-20-23-36-33(24-27)32-15-7-9-17-35(32)38-36/h1-42H;1-24,37H
InChIKeyNSEUQIKLGKXPJG-UHFFFAOYSA-N
XLogP29.10
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001410.82
LogP ≤ 529.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166473
N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 159181397
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 160536193
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166419
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135166943
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166479
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159681482
2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166917
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158365514
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 161498713
N-[2-(3-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 158365942
N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166972

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (CID 159869804) is N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-c2ccccc2-c2ccccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The InChIKey is NSEUQIKLGKXPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2S.C36H25NS/c1-2-17-44(18-3-1)48-19-4-5-20-49(48)52-22-7-12-29-61(52)68(46-36-33-43(34-37-46)45-35-40-65-56(41-45)54-24-9-15-32-64(54)70-65)47-38-39-51-50-21-6-10-26-57(50)67(60(51)42-47)58-27-11-14-31-63(58)69-62-30-13-8-23-53(62)55-25-16-28-59(67)66(55)69;1-2-10-26(11-3-1)29-12-4-5-13-30(29)31-14-6-8-16-34(31)37-28-21-18-25(19-22-28)27-20-23-36-33(24-27)32-15-7-9-17-35(32)38-36/h1-42H;1-24,37H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine has a molecular weight of 1410.82 g/mol, XLogP of 29.10, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is sourced from PubChem (CID 159869804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).