6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

C56H50N2 — CID 166032183

IUPAC6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc3cc2-4)cc1
InChIInChI=1S/C56H50N2/c1-5-13-39(14-6-1)41-21-27-49(28-22-41)57(47-17-9-3-10-18-47)51-31-25-43-35-53-54-36-44-26-32-52(34-46(44)38-56(54)55(53)37-45(43)33-51)58(48-19-11-4-12-20-48)50-29-23-42(24-30-50)40-15-7-2-8-16-40/h3-4,9-12,17-40H,1-2,5-8,13-16H2
InChIKeyJIJUPPXXVYGGTH-UHFFFAOYSA-N
MW751.03 g/mol
LogP16.68
Rot. Bonds8

About 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (PubChem CID 166032183) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
PubChem CID166032183
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC Name6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc3cc2-4)cc1
InChIInChI=1S/C56H50N2/c1-5-13-39(14-6-1)41-21-27-49(28-22-41)57(47-17-9-3-10-18-47)51-31-25-43-35-53-54-36-44-26-32-52(34-46(44)38-56(54)55(53)37-45(43)33-51)58(48-19-11-4-12-20-48)50-29-23-42(24-30-50)40-15-7-2-8-16-40/h3-4,9-12,17-40H,1-2,5-8,13-16H2
InChIKeyJIJUPPXXVYGGTH-UHFFFAOYSA-N
XLogP16.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 90263647
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
8-N,23-N-bis(4-cyclohexylphenyl)-28,28-dimethyl-8-N,23-N-diphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155359863
2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
CID 140738112
5-N,5-N,20-N,20-N-tetrakis(4-cyclohexylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430893
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)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 140738019
1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611813

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (CID 166032183) is 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc3cc2-4)cc1.
What is the InChIKey of 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The InChIKey is JIJUPPXXVYGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-5-13-39(14-6-1)41-21-27-49(28-22-41)57(47-17-9-3-10-18-47)51-31-25-43-35-53-54-36-44-26-32-52(34-46(44)38-56(54)55(53)37-45(43)33-51)58(48-19-11-4-12-20-48)50-29-23-42(24-30-50)40-15-7-2-8-16-40/h3-4,9-12,17-40H,1-2,5-8,13-16H2.
What are the key properties of 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine has a molecular weight of 751.03 g/mol, XLogP of 16.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 166032183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).