6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine

C121H80N4O2 — CID 134533591

IUPAC6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3C3(c5ccccc5-c5c(N(c6ccccc6)c6cccc(-c7ccc8c(c7)-c7cc(N(c9ccccc9)c9ccc%10ccccc%10c9)ccc7C87c8cccc(N(c9ccccc9)c9ccccc9)c8-c8c7oc7ccccc87)c6)cccc53)c3oc5ccccc5c3-4)cc21
InChIInChI=1S/C121H80N4O2/c1-119(2)99-54-25-20-49-91(99)92-69-67-89(76-105(92)119)125(106-58-27-22-48-90(106)78-35-8-3-9-36-78)109-61-31-53-96-112-94-51-23-28-62-110(94)126-117(112)121(116(96)109)100-55-26-21-50-93(100)113-103(121)56-32-59-107(113)124(85-45-16-7-17-46-85)86-47-30-38-80(73-86)81-65-70-101-97(74-81)98-75-88(122(82-39-10-4-11-40-82)87-66-64-77-34-18-19-37-79(77)72-87)68-71-102(98)120(101)104-57-33-60-108(115(104)114-95-52-24-29-63-111(95)127-118(114)120)123(83-41-12-5-13-42-83)84-43-14-6-15-44-84/h3-76H,1-2H3
InChIKeyGBHJLBSRGAQSPP-UHFFFAOYSA-N
MW1622.00 g/mol
LogP32.54
Rot. Bonds14

About 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine

6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine (PubChem CID 134533591) has the molecular formula C121H80N4O2 and a molecular weight of 1622.00 g/mol. Its IUPAC name is 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine.

Molecular Properties

Compound Name6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine
PubChem CID134533591
Molecular FormulaC121H80N4O2
Molecular Weight1622.00 g/mol
Exact Mass1620.63
IUPAC Name6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3C3(c5ccccc5-c5c(N(c6ccccc6)c6cccc(-c7ccc8c(c7)-c7cc(N(c9ccccc9)c9ccc%10ccccc%10c9)ccc7C87c8cccc(N(c9ccccc9)c9ccccc9)c8-c8c7oc7ccccc87)c6)cccc53)c3oc5ccccc5c3-4)cc21
InChIInChI=1S/C121H80N4O2/c1-119(2)99-54-25-20-49-91(99)92-69-67-89(76-105(92)119)125(106-58-27-22-48-90(106)78-35-8-3-9-36-78)109-61-31-53-96-112-94-51-23-28-62-110(94)126-117(112)121(116(96)109)100-55-26-21-50-93(100)113-103(121)56-32-59-107(113)124(85-45-16-7-17-46-85)86-47-30-38-80(73-86)81-65-70-101-97(74-81)98-75-88(122(82-39-10-4-11-40-82)87-66-64-77-34-18-19-37-79(77)72-87)68-71-102(98)120(101)104-57-33-60-108(115(104)114-95-52-24-29-63-111(95)127-118(114)120)123(83-41-12-5-13-42-83)84-43-14-6-15-44-84/h3-76H,1-2H3
InChIKeyGBHJLBSRGAQSPP-UHFFFAOYSA-N
XLogP32.54
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.00
LogP ≤ 532.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine with MolForge

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Related Compounds

8-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-1,8'-diamine;4-N,4-N-diphenyl-9-N'-(3-phenylphenyl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,9'-diamine;methane;3-N-naphthalen-1-yl-3-N,7-N'-diphenyl-7-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,7'-diamine;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;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
CID 160831123
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
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
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
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
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine
CID 160813482
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
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-(9,9-dimethylfluoren-2-yl)-N-(2-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-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465184
3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
CID 159234703
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994

Frequently Asked Questions

What is the IUPAC name of 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine?
The IUPAC name of 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine (CID 134533591) is 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine.
What is the SMILES notation for 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine?
The canonical SMILES for 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3C3(c5ccccc5-c5c(N(c6ccccc6)c6cccc(-c7ccc8c(c7)-c7cc(N(c9ccccc9)c9ccc%10ccccc%10c9)ccc7C87c8cccc(N(c9ccccc9)c9ccccc9)c8-c8c7oc7ccccc87)c6)cccc53)c3oc5ccccc5c3-4)cc21.
What is the InChIKey of 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine?
The InChIKey is GBHJLBSRGAQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H80N4O2/c1-119(2)99-54-25-20-49-91(99)92-69-67-89(76-105(92)119)125(106-58-27-22-48-90(106)78-35-8-3-9-36-78)109-61-31-53-96-112-94-51-23-28-62-110(94)126-117(112)121(116(96)109)100-55-26-21-50-93(100)113-103(121)56-32-59-107(113)124(85-45-16-7-17-46-85)86-47-30-38-80(73-86)81-65-70-101-97(74-81)98-75-88(122(82-39-10-4-11-40-82)87-66-64-77-34-18-19-37-79(77)72-87)68-71-102(98)120(101)104-57-33-60-108(115(104)114-95-52-24-29-63-111(95)127-118(114)120)123(83-41-12-5-13-42-83)84-43-14-6-15-44-84/h3-76H,1-2H3.
What are the key properties of 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine?
6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine has a molecular weight of 1622.00 g/mol, XLogP of 32.54, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine is sourced from PubChem (CID 134533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).