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

C65H58N2S — CID 155359863

IUPAC8-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
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)ccc3cc2-c2ccc3sc4cc5cc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)ccc5cc4c3c21
InChIInChI=1S/C65H58N2S/c1-65(2)60-41-49-37-55(66(51-19-11-5-12-20-51)53-29-23-45(24-30-53)43-15-7-3-8-16-43)33-27-47(49)39-58(60)57-35-36-61-63(64(57)65)59-40-48-28-34-56(38-50(48)42-62(59)68-61)67(52-21-13-6-14-22-52)54-31-25-46(26-32-54)44-17-9-4-10-18-44/h5-6,11-14,19-44H,3-4,7-10,15-18H2,1-2H3
InChIKeyJJERTOFLKQFXOH-UHFFFAOYSA-N
MW899.26 g/mol
LogP19.70
Rot. Bonds8

About 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

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 (PubChem CID 155359863) has the molecular formula C65H58N2S and a molecular weight of 899.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID155359863
Molecular FormulaC65H58N2S
Molecular Weight899.26 g/mol
Exact Mass898.43
IUPAC Name8-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
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)ccc3cc2-c2ccc3sc4cc5cc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)ccc5cc4c3c21
InChIInChI=1S/C65H58N2S/c1-65(2)60-41-49-37-55(66(51-19-11-5-12-20-51)53-29-23-45(24-30-53)43-15-7-3-8-16-43)33-27-47(49)39-58(60)57-35-36-61-63(64(57)65)59-40-48-28-34-56(38-50(48)42-62(59)68-61)67(52-21-13-6-14-22-52)54-31-25-46(26-32-54)44-17-9-4-10-18-44/h5-6,11-14,19-44H,3-4,7-10,15-18H2,1-2H3
InChIKeyJJERTOFLKQFXOH-UHFFFAOYSA-N
XLogP19.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.26
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155361880
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
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
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
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
CID 140738112
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
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)ccc3cc2-c2ccc3sc4cc5cc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)ccc5cc4c3c21.
What is the InChIKey of 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?
The InChIKey is JJERTOFLKQFXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N2S/c1-65(2)60-41-49-37-55(66(51-19-11-5-12-20-51)53-29-23-45(24-30-53)43-15-7-3-8-16-43)33-27-47(49)39-58(60)57-35-36-61-63(64(57)65)59-40-48-28-34-56(38-50(48)42-62(59)68-61)67(52-21-13-6-14-22-52)54-31-25-46(26-32-54)44-17-9-4-10-18-44/h5-6,11-14,19-44H,3-4,7-10,15-18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 899.26 g/mol, XLogP of 19.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155359863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).