5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine

C60H60N2 — CID 70923447

IUPAC5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
SMILESCC1=CC(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2C4(C)C)=CC(C)C1
InChIInChI=1S/C60H60N2/c1-35-21-36(2)26-45(25-35)61(46-27-37(3)22-38(4)28-46)43-13-15-49-51-17-18-52-50-16-14-44(62(47-29-39(5)23-40(6)30-47)48-31-41(7)24-42(8)32-48)34-56(50)60(11,12)54-20-19-53(57(51)58(52)54)59(9,10)55(49)33-43/h13-23,25-34,41H,24H2,1-12H3
InChIKeyDGCYTSOXJCUQHU-UHFFFAOYSA-N
MW809.15 g/mol
LogP16.78
Rot. Bonds6

About 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine

5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine (PubChem CID 70923447) has the molecular formula C60H60N2 and a molecular weight of 809.15 g/mol. Its IUPAC name is 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
PubChem CID70923447
Molecular FormulaC60H60N2
Molecular Weight809.15 g/mol
Exact Mass808.48
IUPAC Name5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
SMILESCC1=CC(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2C4(C)C)=CC(C)C1
InChIInChI=1S/C60H60N2/c1-35-21-36(2)26-45(25-35)61(46-27-37(3)22-38(4)28-46)43-13-15-49-51-17-18-52-50-16-14-44(62(47-29-39(5)23-40(6)30-47)48-31-41(7)24-42(8)32-48)34-56(50)60(11,12)54-20-19-53(57(51)58(52)54)59(9,10)55(49)33-43/h13-23,25-34,41H,24H2,1-12H3
InChIKeyDGCYTSOXJCUQHU-UHFFFAOYSA-N
XLogP16.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.15
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine with MolForge

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Related Compounds

N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline
CID 142315177
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[6-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246519
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246498
7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 58918406
N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067256
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The IUPAC name of 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine (CID 70923447) is 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The canonical SMILES for 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine is CC1=CC(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2C4(C)C)=CC(C)C1.
What is the InChIKey of 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The InChIKey is DGCYTSOXJCUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N2/c1-35-21-36(2)26-45(25-35)61(46-27-37(3)22-38(4)28-46)43-13-15-49-51-17-18-52-50-16-14-44(62(47-29-39(5)23-40(6)30-47)48-31-41(7)24-42(8)32-48)34-56(50)60(11,12)54-20-19-53(57(51)58(52)54)59(9,10)55(49)33-43/h13-23,25-34,41H,24H2,1-12H3.
What are the key properties of 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine has a molecular weight of 809.15 g/mol, XLogP of 16.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine is sourced from PubChem (CID 70923447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).