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

C68H68N2 — CID 170660841

IUPAC5-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
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21
InChIInChI=1S/C68H68N2/c1-68(2)63-27-17-16-26-61(63)67-62(54-22-12-6-13-23-54)46-60(47-64(67)68)70(59-42-38-53(39-43-59)50-18-8-3-4-9-19-50)66-45-49-29-33-55-32-28-48(30-34-56(66)35-31-49)44-65(55)69(57-24-14-7-15-25-57)58-40-36-52(37-41-58)51-20-10-5-11-21-51/h6-7,12-17,22-28,31-32,35-47,50-51H,3-5,8-11,18-21,29-30,33-34H2,1-2H3
InChIKeyHZBPVTIXSVKQDT-UHFFFAOYSA-N
MW913.31 g/mol
LogP18.97
Rot. Bonds9

About 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

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 (PubChem CID 170660841) has the molecular formula C68H68N2 and a molecular weight of 913.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID170660841
Molecular FormulaC68H68N2
Molecular Weight913.31 g/mol
Exact Mass912.54
IUPAC Name5-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
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21
InChIInChI=1S/C68H68N2/c1-68(2)63-27-17-16-26-61(63)67-62(54-22-12-6-13-23-54)46-60(47-64(67)68)70(59-42-38-53(39-43-59)50-18-8-3-4-9-19-50)66-45-49-29-33-55-32-28-48(30-34-56(66)35-31-49)44-65(55)69(57-24-14-7-15-25-57)58-40-36-52(37-41-58)51-20-10-5-11-21-51/h6-7,12-17,22-28,31-32,35-47,50-51H,3-5,8-11,18-21,29-30,33-34H2,1-2H3
InChIKeyHZBPVTIXSVKQDT-UHFFFAOYSA-N
XLogP18.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.31
LogP ≤ 518.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-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-(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
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
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-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 170660885
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176412
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
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,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCCC4)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21.
What is the InChIKey of 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?
The InChIKey is HZBPVTIXSVKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68N2/c1-68(2)63-27-17-16-26-61(63)67-62(54-22-12-6-13-23-54)46-60(47-64(67)68)70(59-42-38-53(39-43-59)50-18-8-3-4-9-19-50)66-45-49-29-33-55-32-28-48(30-34-56(66)35-31-49)44-65(55)69(57-24-14-7-15-25-57)58-40-36-52(37-41-58)51-20-10-5-11-21-51/h6-7,12-17,22-28,31-32,35-47,50-51H,3-5,8-11,18-21,29-30,33-34H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 913.31 g/mol, XLogP of 18.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170660841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).