12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine

C216H216N8 — CID 159982516

IUPAC12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
SMILESCc1ccc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4cc(C)c(C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc2c(c1)c(N(c1ccc(C)c(C)c1)c1cc(C)c(C)c(C)c1)cc1c3ccccc3c(N(c3ccc(C)c(C)c3)c3cc(C)c(C)c(C)c3)cc21
InChIInChI=1S/C55H56N2.2C54H54N2.C53H52N2/c1-32(2)43-19-22-49-52-30-54(56(44-20-17-33(3)35(5)23-44)46-25-37(7)41(11)38(8)26-46)50-16-14-13-15-48(50)51(52)31-55(53(49)29-43)57(45-21-18-34(4)36(6)24-45)47-27-39(9)42(12)40(10)28-47;1-31-13-17-43(21-35(31)5)55(44-18-14-32(2)36(6)22-44)53-29-49-48-26-40(10)42(12)28-52(48)54(30-50(49)47-25-39(9)41(11)27-51(47)53)56(45-19-15-33(3)37(7)23-45)46-20-16-34(4)38(8)24-46;1-31-17-19-43(21-33(31)3)55(44-20-18-32(2)34(4)22-44)54-29-50-47-15-13-14-16-48(47)53(30-51(50)49-27-35(5)36(6)28-52(49)54)56(45-23-37(7)41(11)38(8)24-45)46-25-39(9)42(12)40(10)26-46;1-31-16-21-47-50-29-52(54(42-19-17-32(2)34(4)23-42)44-25-36(6)40(10)37(7)26-44)48-15-13-12-14-46(48)49(50)30-53(51(47)22-31)55(43-20-18-33(3)35(5)24-43)45-27-38(8)41(11)39(9)28-45/h13-32H,1-12H3;2*13-30H,1-12H3;12-30H,1-11H3
InChIKeyOFYJEURSTSHWBS-UHFFFAOYSA-N
MW2924.16 g/mol
LogP63.35
Rot. Bonds25

About 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine

12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine (PubChem CID 159982516) has the molecular formula C216H216N8 and a molecular weight of 2924.16 g/mol. Its IUPAC name is 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine.

Molecular Properties

Compound Name12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
PubChem CID159982516
Molecular FormulaC216H216N8
Molecular Weight2924.16 g/mol
Exact Mass2921.71
IUPAC Name12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
SMILESCc1ccc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4cc(C)c(C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc2c(c1)c(N(c1ccc(C)c(C)c1)c1cc(C)c(C)c(C)c1)cc1c3ccccc3c(N(c3ccc(C)c(C)c3)c3cc(C)c(C)c(C)c3)cc21
InChIInChI=1S/C55H56N2.2C54H54N2.C53H52N2/c1-32(2)43-19-22-49-52-30-54(56(44-20-17-33(3)35(5)23-44)46-25-37(7)41(11)38(8)26-46)50-16-14-13-15-48(50)51(52)31-55(53(49)29-43)57(45-21-18-34(4)36(6)24-45)47-27-39(9)42(12)40(10)28-47;1-31-13-17-43(21-35(31)5)55(44-18-14-32(2)36(6)22-44)53-29-49-48-26-40(10)42(12)28-52(48)54(30-50(49)47-25-39(9)41(11)27-51(47)53)56(45-19-15-33(3)37(7)23-45)46-20-16-34(4)38(8)24-46;1-31-17-19-43(21-33(31)3)55(44-20-18-32(2)34(4)22-44)54-29-50-47-15-13-14-16-48(47)53(30-51(50)49-27-35(5)36(6)28-52(49)54)56(45-23-37(7)41(11)38(8)24-45)46-25-39(9)42(12)40(10)26-46;1-31-16-21-47-50-29-52(54(42-19-17-32(2)34(4)23-42)44-25-36(6)40(10)37(7)26-44)48-15-13-12-14-46(48)49(50)30-53(51(47)22-31)55(43-20-18-33(3)35(5)24-43)45-27-38(8)41(11)39(9)28-45/h13-32H,1-12H3;2*13-30H,1-12H3;12-30H,1-11H3
InChIKeyOFYJEURSTSHWBS-UHFFFAOYSA-N
XLogP63.35
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms224
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002924.16
LogP ≤ 563.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine?
The IUPAC name of 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine (CID 159982516) is 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine.
What is the SMILES notation for 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine?
The canonical SMILES for 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine is Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4cc(C)c(C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc2c(c1)c(N(c1ccc(C)c(C)c1)c1cc(C)c(C)c(C)c1)cc1c3ccccc3c(N(c3ccc(C)c(C)c3)c3cc(C)c(C)c(C)c3)cc21.
What is the InChIKey of 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine?
The InChIKey is OFYJEURSTSHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56N2.2C54H54N2.C53H52N2/c1-32(2)43-19-22-49-52-30-54(56(44-20-17-33(3)35(5)23-44)46-25-37(7)41(11)38(8)26-46)50-16-14-13-15-48(50)51(52)31-55(53(49)29-43)57(45-21-18-34(4)36(6)24-45)47-27-39(9)42(12)40(10)28-47;1-31-13-17-43(21-35(31)5)55(44-18-14-32(2)36(6)22-44)53-29-49-48-26-40(10)42(12)28-52(48)54(30-50(49)47-25-39(9)41(11)27-51(47)53)56(45-19-15-33(3)37(7)23-45)46-20-16-34(4)38(8)24-46;1-31-17-19-43(21-33(31)3)55(44-20-18-32(2)34(4)22-44)54-29-50-47-15-13-14-16-48(47)53(30-51(50)49-27-35(5)36(6)28-52(49)54)56(45-23-37(7)41(11)38(8)24-45)46-25-39(9)42(12)40(10)26-46;1-31-16-21-47-50-29-52(54(42-19-17-32(2)34(4)23-42)44-25-36(6)40(10)37(7)26-44)48-15-13-12-14-46(48)49(50)30-53(51(47)22-31)55(43-20-18-33(3)35(5)24-43)45-27-38(8)41(11)39(9)28-45/h13-32H,1-12H3;2*13-30H,1-12H3;12-30H,1-11H3.
What are the key properties of 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine?
12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine has a molecular weight of 2924.16 g/mol, XLogP of 63.35, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine is sourced from PubChem (CID 159982516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).