1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine

C162H168N6 — CID 161198966

IUPAC1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine
SMILESCc1cc(C)cc(N(c2ccccc2C)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5ccccc5C)cc(C(C)C)c5ccc2c3c54)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc(C(C)C)c5ccc2c3c54)cc(C)c1C.Cc1ccc(N(c2cc(C)ccc2C)c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cc(C)ccc5C)cc(C(C)C)c5ccc2c3c54)cc1
InChIInChI=1S/C58H64N2.2C52H52N2/c1-31(2)53-29-55(59(45-21-33(5)41(13)34(6)22-45)46-23-35(7)42(14)36(8)24-46)51-20-18-50-54(32(3)4)30-56(52-19-17-49(53)57(51)58(50)52)60(47-25-37(9)43(15)38(10)26-47)48-27-39(11)44(16)40(12)28-48;1-31(2)45-29-49(53(39-19-13-33(5)14-20-39)47-27-35(7)11-17-37(47)9)43-26-24-42-46(32(3)4)30-50(44-25-23-41(45)51(43)52(42)44)54(40-21-15-34(6)16-22-40)48-28-36(8)12-18-38(48)10;1-31(2)45-29-49(53(47-17-13-11-15-37(47)9)39-25-33(5)23-34(6)26-39)43-22-20-42-46(32(3)4)30-50(44-21-19-41(45)51(43)52(42)44)54(48-18-14-12-16-38(48)10)40-27-35(7)24-36(8)28-40/h17-32H,1-16H3;2*11-32H,1-10H3
InChIKeyUUSLODDOUOLZEQ-UHFFFAOYSA-N
MW2199.17 g/mol
LogP48.71
Rot. Bonds24

About 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine (PubChem CID 161198966) has the molecular formula C162H168N6 and a molecular weight of 2199.17 g/mol. Its IUPAC name is 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine
PubChem CID161198966
Molecular FormulaC162H168N6
Molecular Weight2199.17 g/mol
Exact Mass2197.33
IUPAC Name1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine
SMILESCc1cc(C)cc(N(c2ccccc2C)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5ccccc5C)cc(C(C)C)c5ccc2c3c54)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc(C(C)C)c5ccc2c3c54)cc(C)c1C.Cc1ccc(N(c2cc(C)ccc2C)c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cc(C)ccc5C)cc(C(C)C)c5ccc2c3c54)cc1
InChIInChI=1S/C58H64N2.2C52H52N2/c1-31(2)53-29-55(59(45-21-33(5)41(13)34(6)22-45)46-23-35(7)42(14)36(8)24-46)51-20-18-50-54(32(3)4)30-56(52-19-17-49(53)57(51)58(50)52)60(47-25-37(9)43(15)38(10)26-47)48-27-39(11)44(16)40(12)28-48;1-31(2)45-29-49(53(39-19-13-33(5)14-20-39)47-27-35(7)11-17-37(47)9)43-26-24-42-46(32(3)4)30-50(44-25-23-41(45)51(43)52(42)44)54(40-21-15-34(6)16-22-40)48-28-36(8)12-18-38(48)10;1-31(2)45-29-49(53(47-17-13-11-15-37(47)9)39-25-33(5)23-34(6)26-39)43-22-20-42-46(32(3)4)30-50(44-21-19-41(45)51(43)52(42)44)54(48-18-14-12-16-38(48)10)40-27-35(7)24-36(8)28-40/h17-32H,1-16H3;2*11-32H,1-10H3
InChIKeyUUSLODDOUOLZEQ-UHFFFAOYSA-N
XLogP48.71
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002199.17
LogP ≤ 548.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146497189
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062791
1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 161297390
1-N,6-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062785
1-N,6-N-bis(2,4-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane
CID 157408489
1-N,6-N-bis(2,7-dimethylnaphthalen-1-yl)-1-N,6-N-bis(4-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146182445
1-N,1-N,6-N,6-N-tetrakis(2,4-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 138572558
1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 140793532
1-N,6-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062772
1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 88598753
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 143848120
1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062739

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine (CID 161198966) is 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine is Cc1cc(C)cc(N(c2ccccc2C)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5ccccc5C)cc(C(C)C)c5ccc2c3c54)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc(C(C)C)c5ccc2c3c54)cc(C)c1C.Cc1ccc(N(c2cc(C)ccc2C)c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cc(C)ccc5C)cc(C(C)C)c5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine?
The InChIKey is UUSLODDOUOLZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N2.2C52H52N2/c1-31(2)53-29-55(59(45-21-33(5)41(13)34(6)22-45)46-23-35(7)42(14)36(8)24-46)51-20-18-50-54(32(3)4)30-56(52-19-17-49(53)57(51)58(50)52)60(47-25-37(9)43(15)38(10)26-47)48-27-39(11)44(16)40(12)28-48;1-31(2)45-29-49(53(39-19-13-33(5)14-20-39)47-27-35(7)11-17-37(47)9)43-26-24-42-46(32(3)4)30-50(44-25-23-41(45)51(43)52(42)44)54(40-21-15-34(6)16-22-40)48-28-36(8)12-18-38(48)10;1-31(2)45-29-49(53(47-17-13-11-15-37(47)9)39-25-33(5)23-34(6)26-39)43-22-20-42-46(32(3)4)30-50(44-21-19-41(45)51(43)52(42)44)54(48-18-14-12-16-38(48)10)40-27-35(7)24-36(8)28-40/h17-32H,1-16H3;2*11-32H,1-10H3.
What are the key properties of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine has a molecular weight of 2199.17 g/mol, XLogP of 48.71, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-di(propan-2-yl)-1-N,1-N,6-N,6-N-tetrakis(3,4,5-trimethylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 161198966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).