N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine

C183H153N3 — CID 160570586

About N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine

N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine (PubChem CID 160570586) has the molecular formula C183H153N3 and a molecular weight of 2427.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine
• PubChem CID: 160570586
• Molecular Formula: C183H153N3
• Molecular Weight: 2427.46 g/mol
• Exact Mass: 2425.41
• IUPAC Name: N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine
• SMILES: Cc1ccc(C(c2ccc(-c3ccc(-c4ccc(C(C)(C)CC(C)(C)C)cc4)cc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccc(-c6ccc(C(C)(C)CC(C)(C)C)cc6)cc5)cc4)c4ccc(C)cc4C)cc3c3ccccc23)c(C)c1.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c([2H])c5c4c3[2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
• InChI: InChI=1S/C87H87N.2C48H33N/c1-57-23-49-73(59(3)51-57)83(69-35-33-65(34-36-69)61-25-27-62(28-26-61)66-37-43-70(44-38-66)86(11,12)55-84(5,6)7)80-53-78-76-21-17-18-22-77(76)82(54-79(78)74-19-15-16-20-75(74)80)88(81-50-24-58(2)52-60(81)4)72-47-41-68(42-48-72)64-31-29-63(30-32-64)67-39-45-71(46-40-67)87(13,14)56-85(8,9)10;2*1-3-10-34(11-4-1)36-18-25-42(26-19-36)49(43-27-20-37(21-28-43)41-16-9-15-40(32-41)35-12-5-2-6-13-35)44-29-22-39-24-30-46-45-17-8-7-14-38(45)23-31-47(46)48(39)33-44/h15-54,83H,55-56H2,1-14H3;2*1-33H/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D
• InChIKey: RAMNPOQQWXRJBG-BTIPYICKSA-N
• XLogP: 52.36
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 26
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2427.46
LogP ≤ 5	52.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine?

The IUPAC name of N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine (CID 160570586) is N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine.

What is the SMILES notation for N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine?

The canonical SMILES for N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine is Cc1ccc(C(c2ccc(-c3ccc(-c4ccc(C(C)(C)CC(C)(C)C)cc4)cc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccc(-c6ccc(C(C)(C)CC(C)(C)C)cc6)cc5)cc4)c4ccc(C)cc4C)cc3c3ccccc23)c(C)c1.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c([2H])c5c4c3[2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1.

What is the InChIKey of N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine?

The InChIKey is RAMNPOQQWXRJBG-BTIPYICKSA-N. The full InChI is InChI=1S/C87H87N.2C48H33N/c1-57-23-49-73(59(3)51-57)83(69-35-33-65(34-36-69)61-25-27-62(28-26-61)66-37-43-70(44-38-66)86(11,12)55-84(5,6)7)80-53-78-76-21-17-18-22-77(76)82(54-79(78)74-19-15-16-20-75(74)80)88(81-50-24-58(2)52-60(81)4)72-47-41-68(42-48-72)64-31-29-63(30-32-64)67-39-45-71(46-40-67)87(13,14)56-85(8,9)10;2*1-3-10-34(11-4-1)36-18-25-42(26-19-36)49(43-27-20-37(21-28-43)41-16-9-15-40(32-41)35-12-5-2-6-13-35)44-29-22-39-24-30-46-45-17-8-7-14-38(45)23-31-47(46)48(39)33-44/h15-54,83H,55-56H2,1-14H3;2*1-33H/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D;.

What are the key properties of N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine?

N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine has a molecular weight of 2427.46 g/mol, XLogP of 52.36, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-12-[(2,4-dimethylphenyl)-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]methyl]-N-[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysen-6-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]chrysen-3-amine;1,2,4,5,6,7,8,9,10,11,12-undecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]chrysen-3-amine is sourced from PubChem (CID 160570586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).