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

C61H50N2 — CID 170660867

IUPAC5-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21
InChIInChI=1S/C61H50N2/c1-61(2)56-29-16-15-26-54(56)55-39-38-51(42-57(55)61)63(60-52(45-18-7-3-8-19-45)27-17-28-53(60)46-20-9-4-10-21-46)59-41-44-31-35-47-34-30-43(32-36-48(59)37-33-44)40-58(47)62(49-22-11-5-12-23-49)50-24-13-6-14-25-50/h3-30,33-34,37-42H,31-32,35-36H2,1-2H3
InChIKeyJDYVTHXERBPAOW-UHFFFAOYSA-N
MW811.09 g/mol
LogP16.15
Rot. Bonds8

About 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

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 (PubChem CID 170660867) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID170660867
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC Name5-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21
InChIInChI=1S/C61H50N2/c1-61(2)56-29-16-15-26-54(56)55-39-38-51(42-57(55)61)63(60-52(45-18-7-3-8-19-45)27-17-28-53(60)46-20-9-4-10-21-46)59-41-44-31-35-47-34-30-43(32-36-48(59)37-33-44)40-58(47)62(49-22-11-5-12-23-49)50-24-13-6-14-25-50/h3-30,33-34,37-42H,31-32,35-36H2,1-2H3
InChIKeyJDYVTHXERBPAOW-UHFFFAOYSA-N
XLogP16.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405122
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660710
N-(4-cyclohexylphenyl)-N-(9,9-dimethylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405091
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
5-N,11-N-bis(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660890
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
5-N-(4-cycloheptylphenyl)-11-N-(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660841
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405155
11-bromo-N-(4-cyclohexylphenyl)-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-amine
CID 170405274
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is JDYVTHXERBPAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-61(2)56-29-16-15-26-54(56)55-39-38-51(42-57(55)61)63(60-52(45-18-7-3-8-19-45)27-17-28-53(60)46-20-9-4-10-21-46)59-41-44-31-35-47-34-30-43(32-36-48(59)37-33-44)40-58(47)62(49-22-11-5-12-23-49)50-24-13-6-14-25-50/h3-30,33-34,37-42H,31-32,35-36H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 811.09 g/mol, XLogP of 16.15, 8 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-(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 is sourced from PubChem (CID 170660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).