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

C65H58N2 — CID 170660729

IUPAC11-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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21
InChIInChI=1S/C65H58N2/c1-65(2)60-25-15-14-24-57(60)59-43-58(50-19-8-4-9-20-50)64(44-61(59)65)67(56-39-36-48-18-12-13-21-53(48)42-56)63-41-46-27-31-51-30-26-45(28-32-52(63)33-29-46)40-62(51)66(54-22-10-5-11-23-54)55-37-34-49(35-38-55)47-16-6-3-7-17-47/h4-5,8-15,18-26,29-30,33-44,47H,3,6-7,16-17,27-28,31-32H2,1-2H3
InChIKeyMSZXHWPLJCVUOY-UHFFFAOYSA-N
MW867.19 g/mol
LogP17.68
Rot. Bonds8

About 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

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 (PubChem CID 170660729) has the molecular formula C65H58N2 and a molecular weight of 867.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID170660729
Molecular FormulaC65H58N2
Molecular Weight867.19 g/mol
Exact Mass866.46
IUPAC Name11-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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21
InChIInChI=1S/C65H58N2/c1-65(2)60-25-15-14-24-57(60)59-43-58(50-19-8-4-9-20-50)64(44-61(59)65)67(56-39-36-48-18-12-13-21-53(48)42-56)63-41-46-27-31-51-30-26-45(28-32-52(63)33-29-46)40-62(51)66(54-22-10-5-11-23-54)55-37-34-49(35-38-55)47-16-6-3-7-17-47/h4-5,8-15,18-26,29-30,33-44,47H,3,6-7,16-17,27-28,31-32H2,1-2H3
InChIKeyMSZXHWPLJCVUOY-UHFFFAOYSA-N
XLogP17.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.19
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
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
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-(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
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
CID 178165633
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
N-(4-cyclohexylphenyl)-9,9-dimethyl-3-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c3)CC4)cc21.
What is the InChIKey of 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?
The InChIKey is MSZXHWPLJCVUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N2/c1-65(2)60-25-15-14-24-57(60)59-43-58(50-19-8-4-9-20-50)64(44-61(59)65)67(56-39-36-48-18-12-13-21-53(48)42-56)63-41-46-27-31-51-30-26-45(28-32-52(63)33-29-46)40-62(51)66(54-22-10-5-11-23-54)55-37-34-49(35-38-55)47-16-6-3-7-17-47/h4-5,8-15,18-26,29-30,33-44,47H,3,6-7,16-17,27-28,31-32H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 867.19 g/mol, XLogP of 17.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170660729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).