6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine

C64H68N2 — CID 143938212

IUPAC6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine
SMILESCCc1ccc(N(C2=CC3=C(CC2)c2c(ccc4c5c(ccc24)C(C)(C)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-5)C3(C)C)c2ccc(C)c(C)c2)cc1CC
InChIInChI=1S/C64H68N2/c1-13-43-19-23-49(35-45(43)15-3)65(47-21-17-39(5)41(7)33-47)51-25-27-55-59(37-51)63(9,10)57-31-29-54-53(61(55)57)30-32-58-62(54)56-28-26-52(38-60(56)64(58,11)12)66(48-22-18-40(6)42(8)34-48)50-24-20-44(14-2)46(16-4)36-50/h17-25,27,29-38H,13-16,26,28H2,1-12H3
InChIKeyJTPRAQSISAOYPC-UHFFFAOYSA-N
MW865.26 g/mol
LogP17.66
Rot. Bonds10

About 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine

6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine (PubChem CID 143938212) has the molecular formula C64H68N2 and a molecular weight of 865.26 g/mol. Its IUPAC name is 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine
PubChem CID143938212
Molecular FormulaC64H68N2
Molecular Weight865.26 g/mol
Exact Mass864.54
IUPAC Name6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine
SMILESCCc1ccc(N(C2=CC3=C(CC2)c2c(ccc4c5c(ccc24)C(C)(C)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-5)C3(C)C)c2ccc(C)c(C)c2)cc1CC
InChIInChI=1S/C64H68N2/c1-13-43-19-23-49(35-45(43)15-3)65(47-21-17-39(5)41(7)33-47)51-25-27-55-59(37-51)63(9,10)57-31-29-54-53(61(55)57)30-32-58-62(54)56-28-26-52(38-60(56)64(58,11)12)66(48-22-18-40(6)42(8)34-48)50-24-20-44(14-2)46(16-4)36-50/h17-25,27,29-38H,13-16,26,28H2,1-12H3
InChIKeyJTPRAQSISAOYPC-UHFFFAOYSA-N
XLogP17.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.26
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine with MolForge

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Related Compounds

2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074355
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
3,4-diethylaniline;N-(3,4-diethylphenyl)-N-(3,4-dimethylphenyl)-12,12,24,25,30,30-hexamethylpentacyclo[17.10.1.03,15.05,13.06,11]triaconta-1(29),2,4,6(11),7,9,13,15,17,19,21,23,25,27-tetradecaen-9-amine
CID 143938035
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine
CID 58261487
2-N,2-N,8-N,8-N-tetrakis(3,4-dimethylphenyl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene-2,8-diamine
CID 58232252
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277980
2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 70809697
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine (CID 143938212) is 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine is CCc1ccc(N(C2=CC3=C(CC2)c2c(ccc4c5c(ccc24)C(C)(C)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-5)C3(C)C)c2ccc(C)c(C)c2)cc1CC.
What is the InChIKey of 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine?
The InChIKey is JTPRAQSISAOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2/c1-13-43-19-23-49(35-45(43)15-3)65(47-21-17-39(5)41(7)33-47)51-25-27-55-59(37-51)63(9,10)57-31-29-54-53(61(55)57)30-32-58-62(54)56-28-26-52(38-60(56)64(58,11)12)66(48-22-18-40(6)42(8)34-48)50-24-20-44(14-2)46(16-4)36-50/h17-25,27,29-38H,13-16,26,28H2,1-12H3.
What are the key properties of 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine?
6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine has a molecular weight of 865.26 g/mol, XLogP of 17.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(3,4-diethylphenyl)-6-N,18-N-bis(3,4-dimethylphenyl)-9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine is sourced from PubChem (CID 143938212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).