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

C108H69N3O2 — CID 134554868

IUPAC4-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6c7c(oc6c5)C5(c6ccccc6-c6ccc(N(c8ccccc8)c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc65)c5ccccc5-7)cc4)cc3)c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C108H69N3O2/c1-6-26-70(27-7-1)76-64-77(71-28-8-2-9-29-71)66-86(65-76)111(84-60-63-99-94(68-84)104-92-40-20-25-45-101(92)112-106(104)107(99)95-41-21-16-36-87(95)88-37-17-22-42-96(88)107)81-53-50-73(51-54-81)72-46-48-74(49-47-72)75-52-61-93-102(67-75)113-105-103(93)91-39-19-24-44-98(91)108(105)97-43-23-18-38-89(97)90-62-59-85(69-100(90)108)110(80-34-14-5-15-35-80)83-57-55-82(56-58-83)109(78-30-10-3-11-31-78)79-32-12-4-13-33-79/h1-69H
InChIKeyCSHORPMXTLUAOA-UHFFFAOYSA-N
MW1440.76 g/mol
LogP28.94
Rot. Bonds13

About 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

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 (PubChem CID 134554868) has the molecular formula C108H69N3O2 and a molecular weight of 1440.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID134554868
Molecular FormulaC108H69N3O2
Molecular Weight1440.76 g/mol
Exact Mass1439.54
IUPAC Name4-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6c7c(oc6c5)C5(c6ccccc6-c6ccc(N(c8ccccc8)c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc65)c5ccccc5-7)cc4)cc3)c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C108H69N3O2/c1-6-26-70(27-7-1)76-64-77(71-28-8-2-9-29-71)66-86(65-76)111(84-60-63-99-94(68-84)104-92-40-20-25-45-101(92)112-106(104)107(99)95-41-21-16-36-87(95)88-37-17-22-42-96(88)107)81-53-50-73(51-54-81)72-46-48-74(49-47-72)75-52-61-93-102(67-75)113-105-103(93)91-39-19-24-44-98(91)108(105)97-43-23-18-38-89(97)90-62-59-85(69-100(90)108)110(80-34-14-5-15-35-80)83-57-55-82(56-58-83)109(78-30-10-3-11-31-78)79-32-12-4-13-33-79/h1-69H
InChIKeyCSHORPMXTLUAOA-UHFFFAOYSA-N
XLogP28.94
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001440.76
LogP ≤ 528.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
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
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
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
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
CID 134551319
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
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
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
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine
CID 158462960
N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-amine
CID 160755505
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6c7c(oc6c5)C5(c6ccccc6-c6ccc(N(c8ccccc8)c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc65)c5ccccc5-7)cc4)cc3)c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is CSHORPMXTLUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H69N3O2/c1-6-26-70(27-7-1)76-64-77(71-28-8-2-9-29-71)66-86(65-76)111(84-60-63-99-94(68-84)104-92-40-20-25-45-101(92)112-106(104)107(99)95-41-21-16-36-87(95)88-37-17-22-42-96(88)107)81-53-50-73(51-54-81)72-46-48-74(49-47-72)75-52-61-93-102(67-75)113-105-103(93)91-39-19-24-44-98(91)108(105)97-43-23-18-38-89(97)90-62-59-85(69-100(90)108)110(80-34-14-5-15-35-80)83-57-55-82(56-58-83)109(78-30-10-3-11-31-78)79-32-12-4-13-33-79/h1-69H.
What are the key properties of 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?
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 has a molecular weight of 1440.76 g/mol, XLogP of 28.94, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134554868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).