N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

C63H42N2O — CID 134529774

IUPACN-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3oc5ccccc5c3-4)c2)cc1
InChIInChI=1S/C63H42N2O/c1-5-18-43(19-6-1)45-20-17-27-51(40-45)65(49-25-11-4-12-26-49)52-37-39-55-59(42-52)63(62-61(55)56-29-14-16-31-60(56)66-62)57-30-15-13-28-53(57)54-38-34-46(41-58(54)63)44-32-35-50(36-33-44)64(47-21-7-2-8-22-47)48-23-9-3-10-24-48/h1-42H
InChIKeyXHTLQRHFPYICDV-UHFFFAOYSA-N
MW843.04 g/mol
LogP17.05
Rot. Bonds8

About N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (PubChem CID 134529774) has the molecular formula C63H42N2O and a molecular weight of 843.04 g/mol. Its IUPAC name is N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.

Molecular Properties

Compound NameN-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
PubChem CID134529774
Molecular FormulaC63H42N2O
Molecular Weight843.04 g/mol
Exact Mass842.33
IUPAC NameN-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3oc5ccccc5c3-4)c2)cc1
InChIInChI=1S/C63H42N2O/c1-5-18-43(19-6-1)45-20-17-27-51(40-45)65(49-25-11-4-12-26-49)52-37-39-55-59(42-52)63(62-61(55)56-29-14-16-31-60(56)66-62)57-30-15-13-28-53(57)54-38-34-46(41-58(54)63)44-32-35-50(36-33-44)64(47-21-7-2-8-22-47)48-23-9-3-10-24-48/h1-42H
InChIKeyXHTLQRHFPYICDV-UHFFFAOYSA-N
XLogP17.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.04
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
CID 134551319
4-N-[3'-[4-[4-(3,5-diphenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylanilino)phenyl]phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134554868
2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 156635059
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine
CID 134555021
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
4-N-naphthalen-1-yl-4-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,8'-diamine;7-N'-naphthalen-1-yl-2-N,7-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,7'-diamine;9-N'-naphthalen-1-yl-9-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine;3-N-phenyl-3-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,8'-diamine
CID 158264311

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The IUPAC name of N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (CID 134529774) is N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.
What is the SMILES notation for N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The canonical SMILES for N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3oc5ccccc5c3-4)c2)cc1.
What is the InChIKey of N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The InChIKey is XHTLQRHFPYICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O/c1-5-18-43(19-6-1)45-20-17-27-51(40-45)65(49-25-11-4-12-26-49)52-37-39-55-59(42-52)63(62-61(55)56-29-14-16-31-60(56)66-62)57-30-15-13-28-53(57)54-38-34-46(41-58(54)63)44-32-35-50(36-33-44)64(47-21-7-2-8-22-47)48-23-9-3-10-24-48/h1-42H.
What are the key properties of N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine has a molecular weight of 843.04 g/mol, XLogP of 17.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is sourced from PubChem (CID 134529774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).