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

C63H60N2 — CID 170660710

IUPAC5-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
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C63H60N2/c1-63(2)58-27-17-26-56(49-20-11-6-12-21-49)62(58)57-41-40-55(44-59(57)63)65(54-38-36-48(37-39-54)47-18-9-4-3-5-10-19-47)61-43-46-29-33-50-32-28-45(30-34-51(61)35-31-46)42-60(50)64(52-22-13-7-14-23-52)53-24-15-8-16-25-53/h6-8,11-17,20-28,31-32,35-44,47H,3-5,9-10,18-19,29-30,33-34H2,1-2H3
InChIKeyWLEJXECDXBNFTJ-UHFFFAOYSA-N
MW845.19 g/mol
LogP17.31
Rot. Bonds8

About 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

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 (PubChem CID 170660710) has the molecular formula C63H60N2 and a molecular weight of 845.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID170660710
Molecular FormulaC63H60N2
Molecular Weight845.19 g/mol
Exact Mass844.48
IUPAC Name5-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
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C63H60N2/c1-63(2)58-27-17-26-56(49-20-11-6-12-21-49)62(58)57-41-40-55(44-59(57)63)65(54-38-36-48(37-39-54)47-18-9-4-3-5-10-19-47)61-43-46-29-33-50-32-28-45(30-34-51(61)35-31-46)42-60(50)64(52-22-13-7-14-23-52)53-24-15-8-16-25-53/h6-8,11-17,20-28,31-32,35-44,47H,3-5,9-10,18-19,29-30,33-34H2,1-2H3
InChIKeyWLEJXECDXBNFTJ-UHFFFAOYSA-N
XLogP17.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.19
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-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
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-3-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 170660802
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-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-N-(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-5-N-naphthalen-2-yl-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660729
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
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
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccc(C4CCCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccccc5)c3)CC4)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 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?
The InChIKey is WLEJXECDXBNFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N2/c1-63(2)58-27-17-26-56(49-20-11-6-12-21-49)62(58)57-41-40-55(44-59(57)63)65(54-38-36-48(37-39-54)47-18-9-4-3-5-10-19-47)61-43-46-29-33-50-32-28-45(30-34-51(61)35-31-46)42-60(50)64(52-22-13-7-14-23-52)53-24-15-8-16-25-53/h6-8,11-17,20-28,31-32,35-44,47H,3-5,9-10,18-19,29-30,33-34H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 845.19 g/mol, XLogP of 17.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170660710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).