5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine

C55H60N2 — CID 71108343

IUPAC5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine
SMILESCCc1cccc(CC)c1N(c1ccc(C)cc1)C1(CC)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)N(c1ccc(C)cc1)c1c(CC)cccc1CC
InChIInChI=1S/C55H60N2/c1-11-37-19-17-20-38(12-2)51(37)56(41-27-23-35(7)24-28-41)54(15-5)47-31-43-44-32-48-50(34-46(44)53(9,10)45(43)33-49(47)54)55(48,16-6)57(42-29-25-36(8)26-30-42)52-39(13-3)21-18-22-40(52)14-4/h17-34H,11-16H2,1-10H3
InChIKeyNXCOWUCUDCSEEU-UHFFFAOYSA-N
MW749.10 g/mol
LogP14.47
Rot. Bonds12

About 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine

5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine (PubChem CID 71108343) has the molecular formula C55H60N2 and a molecular weight of 749.10 g/mol. Its IUPAC name is 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine.

Molecular Properties

Compound Name5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine
PubChem CID71108343
Molecular FormulaC55H60N2
Molecular Weight749.10 g/mol
Exact Mass748.48
IUPAC Name5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine
SMILESCCc1cccc(CC)c1N(c1ccc(C)cc1)C1(CC)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)N(c1ccc(C)cc1)c1c(CC)cccc1CC
InChIInChI=1S/C55H60N2/c1-11-37-19-17-20-38(12-2)51(37)56(41-27-23-35(7)24-28-41)54(15-5)47-31-43-44-32-48-50(34-46(44)53(9,10)45(43)33-49(47)54)55(48,16-6)57(42-29-25-36(8)26-30-42)52-39(13-3)21-18-22-40(52)14-4/h17-34H,11-16H2,1-10H3
InChIKeyNXCOWUCUDCSEEU-UHFFFAOYSA-N
XLogP14.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.10
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine with MolForge

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Related Compounds

[4-(N-[13-(N-(4-benzoylphenyl)-4-methylanilino)-5,13-diethyl-9,9-dimethyl-5-pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaenyl]-4-methylanilino)phenyl]-phenylmethanone
CID 71108237
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
12-ethyl-8,8-dimethyl-N,N-diphenyl-5-[2-(N-phenylanilino)butan-2-yl]tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaen-12-amine
CID 71027893
13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
CID 89300605
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-diethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;bis(9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine);2-N,2-N,7-N,7-N-tetrakis(4-ethylphenyl)-9,9-dimethylfluorene-2,7-diamine
CID 160966988
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
N,6,9,9-tetramethyl-N-(4-methylphenyl)fluoren-3-amine
CID 23593227
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846

Frequently Asked Questions

What is the IUPAC name of 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine?
The IUPAC name of 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine (CID 71108343) is 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine.
What is the SMILES notation for 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine?
The canonical SMILES for 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine is CCc1cccc(CC)c1N(c1ccc(C)cc1)C1(CC)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)N(c1ccc(C)cc1)c1c(CC)cccc1CC.
What is the InChIKey of 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine?
The InChIKey is NXCOWUCUDCSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H60N2/c1-11-37-19-17-20-38(12-2)51(37)56(41-27-23-35(7)24-28-41)54(15-5)47-31-43-44-32-48-50(34-46(44)53(9,10)45(43)33-49(47)54)55(48,16-6)57(42-29-25-36(8)26-30-42)52-39(13-3)21-18-22-40(52)14-4/h17-34H,11-16H2,1-10H3.
What are the key properties of 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine?
5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine has a molecular weight of 749.10 g/mol, XLogP of 14.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine is sourced from PubChem (CID 71108343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).