N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline

C212H138N4 — CID 158486221

About N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline

N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline (PubChem CID 158486221) has the molecular formula C212H138N4 and a molecular weight of 2741.46 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline
• PubChem CID: 158486221
• Molecular Formula: C212H138N4
• Molecular Weight: 2741.46 g/mol
• Exact Mass: 2739.09
• IUPAC Name: N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5cc6ccc7c8ccc9ccccc9c8ccc7c6c6ccccc56)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5c5c7ccc8c9ccccc9ccc8c7ccc65)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6c(ccc7c6ccc6c8ccccc8ccc67)c5)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6ccc7c(ccc8c9ccccc9ccc87)c6c5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C58H37N.C54H35N.2C50H33N/c1-3-12-45(13-4-1)59(46-14-5-2-6-15-46)47-27-23-38(24-28-47)40-19-20-42-36-43(22-21-41(42)35-40)44-26-30-53-56-34-32-52-51-29-25-39-11-7-8-16-48(39)50(51)31-33-55(52)58(56)54-18-10-9-17-49(54)57(53)37-44;1-3-12-43(13-4-1)55(44-14-5-2-6-15-44)45-27-23-36(24-28-45)38-19-20-40-34-41(22-21-39(40)33-38)53-35-42-26-30-50-49-29-25-37-11-7-8-16-46(37)48(49)31-32-52(50)54(42)51-18-10-9-17-47(51)53;1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-24-19-34(20-25-44)36-15-16-38-32-39(18-17-37(38)31-36)40-22-26-46-41(33-40)23-28-50-48(46)30-29-47-45-14-8-7-9-35(45)21-27-49(47)50;1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-25-21-34(22-26-44)37-17-18-39-32-40(20-19-38(39)31-37)41-16-15-36-24-28-48-47-27-23-35-9-7-8-14-45(35)46(47)29-30-49(48)50(36)33-41/h1-37H;1-35H;2*1-33H
• InChIKey: HIDAUMZAXFEJHP-UHFFFAOYSA-N
• XLogP: 60.49
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2741.46
LogP ≤ 5	60.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline?

The IUPAC name of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline (CID 158486221) is N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline.

What is the SMILES notation for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline?

The canonical SMILES for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5cc6ccc7c8ccc9ccccc9c8ccc7c6c6ccccc56)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5c5c7ccc8c9ccccc9ccc8c7ccc65)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6c(ccc7c6ccc6c8ccccc8ccc67)c5)ccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6ccc7c(ccc8c9ccccc9ccc87)c6c5)ccc4c3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline?

The InChIKey is HIDAUMZAXFEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N.C54H35N.2C50H33N/c1-3-12-45(13-4-1)59(46-14-5-2-6-15-46)47-27-23-38(24-28-47)40-19-20-42-36-43(22-21-41(42)35-40)44-26-30-53-56-34-32-52-51-29-25-39-11-7-8-16-48(39)50(51)31-33-55(52)58(56)54-18-10-9-17-49(54)57(53)37-44;1-3-12-43(13-4-1)55(44-14-5-2-6-15-44)45-27-23-36(24-28-45)38-19-20-40-34-41(22-21-39(40)33-38)53-35-42-26-30-50-49-29-25-37-11-7-8-16-46(37)48(49)31-32-52(50)54(42)51-18-10-9-17-47(51)53;1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-24-19-34(20-25-44)36-15-16-38-32-39(18-17-37(38)31-36)40-22-26-46-41(33-40)23-28-50-48(46)30-29-47-45-14-8-7-9-35(45)21-27-49(47)50;1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-25-21-34(22-26-44)37-17-18-39-32-40(20-19-38(39)31-37)41-16-15-36-24-28-48-47-27-23-35-9-7-8-14-45(35)46(47)29-30-49(48)50(36)33-41/h1-37H;1-35H;2*1-33H.

What are the key properties of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline?

N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline has a molecular weight of 2741.46 g/mol, XLogP of 60.49, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 158486221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).