13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine

C67H65N3 — CID 166048648

IUPAC13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine
SMILESCC(C)(C)c1cc2c3c(n4c5cc(N(c6ccccc6)c6cccc(C7CCCCC7)c6)c6ccccc6c5c(c1)c24)C(C)(C)c1cc(N(c2ccccc2)c2cccc(C4CCCCC4)c2)ccc1-3
InChIInChI=1S/C67H65N3/c1-66(2,3)48-40-57-62-55-35-19-18-34-54(55)60(69(50-30-16-9-17-31-50)52-33-21-27-47(39-52)45-24-12-7-13-25-45)43-61(62)70-64(57)58(41-48)63-56-37-36-53(42-59(56)67(4,5)65(63)70)68(49-28-14-8-15-29-49)51-32-20-26-46(38-51)44-22-10-6-11-23-44/h8-9,14-21,26-45H,6-7,10-13,22-25H2,1-5H3
InChIKeyKGGPPYWPDBPTEU-UHFFFAOYSA-N
MW912.28 g/mol
LogP19.48
Rot. Bonds8

About 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine

13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine (PubChem CID 166048648) has the molecular formula C67H65N3 and a molecular weight of 912.28 g/mol. Its IUPAC name is 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine.

Molecular Properties

Compound Name13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine
PubChem CID166048648
Molecular FormulaC67H65N3
Molecular Weight912.28 g/mol
Exact Mass911.52
IUPAC Name13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine
SMILESCC(C)(C)c1cc2c3c(n4c5cc(N(c6ccccc6)c6cccc(C7CCCCC7)c6)c6ccccc6c5c(c1)c24)C(C)(C)c1cc(N(c2ccccc2)c2cccc(C4CCCCC4)c2)ccc1-3
InChIInChI=1S/C67H65N3/c1-66(2,3)48-40-57-62-55-35-19-18-34-54(55)60(69(50-30-16-9-17-31-50)52-33-21-27-47(39-52)45-24-12-7-13-25-45)43-61(62)70-64(57)58(41-48)63-56-37-36-53(42-59(56)67(4,5)65(63)70)68(49-28-14-8-15-29-49)51-32-20-26-46(38-51)44-22-10-6-11-23-44/h8-9,14-21,26-45H,6-7,10-13,22-25H2,1-5H3
InChIKeyKGGPPYWPDBPTEU-UHFFFAOYSA-N
XLogP19.48
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.28
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine with MolForge

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Related Compounds

methylcyclohexane;9-N,19-N,19-N-tris(4-cyclohexylphenyl)-12,12,22,22-tetramethyl-9-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 143607906
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774507
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
5-N,22-N-bis(4-cyclohexylphenyl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430654
4-N,17-N-bis(4-tert-butylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118360263
N-[3-tert-butyl-5-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157479942
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410

Frequently Asked Questions

What is the IUPAC name of 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine?
The IUPAC name of 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine (CID 166048648) is 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine.
What is the SMILES notation for 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine?
The canonical SMILES for 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine is CC(C)(C)c1cc2c3c(n4c5cc(N(c6ccccc6)c6cccc(C7CCCCC7)c6)c6ccccc6c5c(c1)c24)C(C)(C)c1cc(N(c2ccccc2)c2cccc(C4CCCCC4)c2)ccc1-3.
What is the InChIKey of 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine?
The InChIKey is KGGPPYWPDBPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H65N3/c1-66(2,3)48-40-57-62-55-35-19-18-34-54(55)60(69(50-30-16-9-17-31-50)52-33-21-27-47(39-52)45-24-12-7-13-25-45)43-61(62)70-64(57)58(41-48)63-56-37-36-53(42-59(56)67(4,5)65(63)70)68(49-28-14-8-15-29-49)51-32-20-26-46(38-51)44-22-10-6-11-23-44/h8-9,14-21,26-45H,6-7,10-13,22-25H2,1-5H3.
What are the key properties of 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine?
13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine has a molecular weight of 912.28 g/mol, XLogP of 19.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-6-N,23-N-bis(3-cyclohexylphenyl)-3,3-dimethyl-6-N,23-N-diphenyl-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.017,22]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,23-diamine is sourced from PubChem (CID 166048648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).