6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

C60H62N2 — CID 166032047

IUPAC6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
SMILESCc1ccc(C(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2ccc(N(c4cc(C(C)C)ccc4C)c4cc(C(C)C)ccc4C)cc2cc1-3)c1cc(C(C)C)ccc1C
InChIInChI=1S/C60H62N2/c1-35(2)43-17-13-39(9)57(31-43)61(58-32-44(36(3)4)18-14-40(58)10)51-23-21-47-27-53-55(29-49(47)25-51)54-28-48-22-24-52(26-50(48)30-56(53)54)62(59-33-45(37(5)6)19-15-41(59)11)60-34-46(38(7)8)20-16-42(60)12/h13-38H,1-12H3
InChIKeyGGWRLQGGLFTHGV-UHFFFAOYSA-N
MW811.17 g/mol
LogP18.31
Rot. Bonds10

About 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (PubChem CID 166032047) has the molecular formula C60H62N2 and a molecular weight of 811.17 g/mol. Its IUPAC name is 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.

Molecular Properties

Compound Name6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
PubChem CID166032047
Molecular FormulaC60H62N2
Molecular Weight811.17 g/mol
Exact Mass810.49
IUPAC Name6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
SMILESCc1ccc(C(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2ccc(N(c4cc(C(C)C)ccc4C)c4cc(C(C)C)ccc4C)cc2cc1-3)c1cc(C(C)C)ccc1C
InChIInChI=1S/C60H62N2/c1-35(2)43-17-13-39(9)57(31-43)61(58-32-44(36(3)4)18-14-40(58)10)51-23-21-47-27-53-55(29-49(47)25-51)54-28-48-22-24-52(26-50(48)30-56(53)54)62(59-33-45(37(5)6)19-15-41(59)11)60-34-46(38(7)8)20-16-42(60)12/h13-38H,1-12H3
InChIKeyGGWRLQGGLFTHGV-UHFFFAOYSA-N
XLogP18.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.17
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine with MolForge

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Related Compounds

N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166033332
6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031810
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-(2-methyl-5-propan-2-ylphenyl)dibenzofuran-4-amine
CID 166033505
6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032069
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361960
9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-2,16-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360620
N,16,17-triphenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032096
16-N-(2,5-dimethylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033163
N-(2,6-dimethylphenyl)-16,17-diphenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032190
6-N,17-N-bis(2-methyl-5-phenylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032778
16-(4-tert-butylphenyl)-N-(2-methylphenyl)-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032796
6-N,17-N-bis(5-tert-butyl-2-methylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166031792

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The IUPAC name of 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (CID 166032047) is 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.
What is the SMILES notation for 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The canonical SMILES for 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is Cc1ccc(C(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2ccc(N(c4cc(C(C)C)ccc4C)c4cc(C(C)C)ccc4C)cc2cc1-3)c1cc(C(C)C)ccc1C.
What is the InChIKey of 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The InChIKey is GGWRLQGGLFTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N2/c1-35(2)43-17-13-39(9)57(31-43)61(58-32-44(36(3)4)18-14-40(58)10)51-23-21-47-27-53-55(29-49(47)25-51)54-28-48-22-24-52(26-50(48)30-56(53)54)62(59-33-45(37(5)6)19-15-41(59)11)60-34-46(38(7)8)20-16-42(60)12/h13-38H,1-12H3.
What are the key properties of 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine has a molecular weight of 811.17 g/mol, XLogP of 18.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is sourced from PubChem (CID 166032047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).