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

C77H86N2 — CID 143607906

IUPACmethylcyclohexane;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
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)c2ccccc12)C3(C)C.CC1CCCCC1
InChIInChI=1S/C70H72N2.C7H14/c1-69(2)63-43-57(71(54-35-29-50(30-36-54)47-19-9-5-10-20-47)55-37-31-51(32-38-55)48-21-11-6-12-22-48)41-42-58(63)61-44-65-62(45-64(61)69)68-60-28-18-17-27-59(60)67(46-66(68)70(65,3)4)72(53-25-15-8-16-26-53)56-39-33-52(34-40-56)49-23-13-7-14-24-49;1-7-5-3-2-4-6-7/h8,15-18,25-49H,5-7,9-14,19-24H2,1-4H3;7H,2-6H2,1H3
InChIKeyUGTPUTOYIWBRKF-UHFFFAOYSA-N
MW1039.55 g/mol
LogP23.12
Rot. Bonds9

About 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

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 (PubChem CID 143607906) has the molecular formula C77H86N2 and a molecular weight of 1039.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethylcyclohexane;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
PubChem CID143607906
Molecular FormulaC77H86N2
Molecular Weight1039.55 g/mol
Exact Mass1038.68
IUPAC Namemethylcyclohexane;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
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)c2ccccc12)C3(C)C.CC1CCCCC1
InChIInChI=1S/C70H72N2.C7H14/c1-69(2)63-43-57(71(54-35-29-50(30-36-54)47-19-9-5-10-20-47)55-37-31-51(32-38-55)48-21-11-6-12-22-48)41-42-58(63)61-44-65-62(45-64(61)69)68-60-28-18-17-27-59(60)67(46-66(68)70(65,3)4)72(53-25-15-8-16-26-53)56-39-33-52(34-40-56)49-23-13-7-14-24-49;1-7-5-3-2-4-6-7/h8,15-18,25-49H,5-7,9-14,19-24H2,1-4H3;7H,2-6H2,1H3
InChIKeyUGTPUTOYIWBRKF-UHFFFAOYSA-N
XLogP23.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.55
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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 123586227
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
N,N-bis(4-cyclohexylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-22-amine
CID 121431489
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[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 155323973
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
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
7-phenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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 162053768
N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 137493406

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)c2ccccc12)C3(C)C.CC1CCCCC1.
What is the InChIKey of 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?
The InChIKey is UGTPUTOYIWBRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H72N2.C7H14/c1-69(2)63-43-57(71(54-35-29-50(30-36-54)47-19-9-5-10-20-47)55-37-31-51(32-38-55)48-21-11-6-12-22-48)41-42-58(63)61-44-65-62(45-64(61)69)68-60-28-18-17-27-59(60)67(46-66(68)70(65,3)4)72(53-25-15-8-16-26-53)56-39-33-52(34-40-56)49-23-13-7-14-24-49;1-7-5-3-2-4-6-7/h8,15-18,25-49H,5-7,9-14,19-24H2,1-4H3;7H,2-6H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1039.55 g/mol, XLogP of 23.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143607906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).