5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

C53H44N2 — CID 170660915

IUPAC5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3cccc4ccccc34)cc21
InChIInChI=1S/C53H44N2/c1-53(2)48-22-12-11-21-46(48)47-33-32-44(36-49(47)53)55(50-23-13-15-39-14-9-10-20-45(39)50)52-35-38-25-29-40-28-24-37(26-30-41(52)31-27-38)34-51(40)54(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h3-24,27-28,31-36H,25-26,29-30H2,1-2H3
InChIKeyYAEAJWBSEIWUNO-UHFFFAOYSA-N
MW708.95 g/mol
LogP13.97
Rot. Bonds6

About 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (PubChem CID 170660915) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
PubChem CID170660915
Molecular FormulaC53H44N2
Molecular Weight708.95 g/mol
Exact Mass708.35
IUPAC Name5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3cccc4ccccc34)cc21
InChIInChI=1S/C53H44N2/c1-53(2)48-22-12-11-21-46(48)47-33-32-44(36-49(47)53)55(50-23-13-15-39-14-9-10-20-45(39)50)52-35-38-25-29-40-28-24-37(26-30-41(52)31-27-38)34-51(40)54(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h3-24,27-28,31-36H,25-26,29-30H2,1-2H3
InChIKeyYAEAJWBSEIWUNO-UHFFFAOYSA-N
XLogP13.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine with MolForge

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Related Compounds

5-N-(9,9-dimethylfluoren-2-yl)-5-N-(2,6-diphenylphenyl)-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660867
(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780186
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (CID 170660915) is 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.
What is the SMILES notation for 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The canonical SMILES for 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3cccc4ccccc34)cc21.
What is the InChIKey of 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The InChIKey is YAEAJWBSEIWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-53(2)48-22-12-11-21-46(48)47-33-32-44(36-49(47)53)55(50-23-13-15-39-14-9-10-20-45(39)50)52-35-38-25-29-40-28-24-37(26-30-41(52)31-27-38)34-51(40)54(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h3-24,27-28,31-36H,25-26,29-30H2,1-2H3.
What are the key properties of 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine has a molecular weight of 708.95 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is sourced from PubChem (CID 170660915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).