6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine

C200H238N6 — CID 159830725

IUPAC6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc(N(c2cc(C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C(C)(C)C)c4)c4cc(C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C74H94N2.C64H74N2.C62H70N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-39-25-43(59(5,6)7)33-47(29-39)63(48-30-40(2)26-44(34-48)60(8,9)10)57-37-55-52-22-18-20-24-54(52)58(38-56(55)51-21-17-19-23-53(51)57)64(49-31-41(3)27-45(35-49)61(11,12)13)50-32-42(4)28-46(36-50)62(14,15)16/h25-46H,1-24H3;19-38H,1-18H3;17-38H,1-16H3
InChIKeyNNKVDTFSPYEREX-UHFFFAOYSA-N
MW2726.15 g/mol
LogP60.10
Rot. Bonds18

About 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine

6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine (PubChem CID 159830725) has the molecular formula C200H238N6 and a molecular weight of 2726.15 g/mol. Its IUPAC name is 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine
PubChem CID159830725
Molecular FormulaC200H238N6
Molecular Weight2726.15 g/mol
Exact Mass2723.88
IUPAC Name6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc(N(c2cc(C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C(C)(C)C)c4)c4cc(C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C74H94N2.C64H74N2.C62H70N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-39-25-43(59(5,6)7)33-47(29-39)63(48-30-40(2)26-44(34-48)60(8,9)10)57-37-55-52-22-18-20-24-54(52)58(38-56(55)51-21-17-19-23-53(51)57)64(49-31-41(3)27-45(35-49)61(11,12)13)50-32-42(4)28-46(36-50)62(14,15)16/h25-46H,1-24H3;19-38H,1-18H3;17-38H,1-16H3
InChIKeyNNKVDTFSPYEREX-UHFFFAOYSA-N
XLogP60.10
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002726.15
LogP ≤ 560.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 162086038
6-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
6-N-(3-tert-butylphenyl)-12-N-(3,5-dimethylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 58599792
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
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
1-N,3-N,6-N,8-N-tetrakis(3,5-ditert-butylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,6-dimethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876913
12-N-(4-tert-butylphenyl)-6-N-(4-ethylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 90869700
12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine
CID 59412935
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine (CID 159830725) is 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine is CC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc(N(c2cc(C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C(C)(C)C)c4)c4cc(C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.
What is the InChIKey of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine?
The InChIKey is NNKVDTFSPYEREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H94N2.C64H74N2.C62H70N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-39-25-43(59(5,6)7)33-47(29-39)63(48-30-40(2)26-44(34-48)60(8,9)10)57-37-55-52-22-18-20-24-54(52)58(38-56(55)51-21-17-19-23-53(51)57)64(49-31-41(3)27-45(35-49)61(11,12)13)50-32-42(4)28-46(36-50)62(14,15)16/h25-46H,1-24H3;19-38H,1-18H3;17-38H,1-16H3.
What are the key properties of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine?
6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine has a molecular weight of 2726.15 g/mol, XLogP of 60.10, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 159830725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).