N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine

C78H56N4 — CID 144605079

About N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine

N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine (PubChem CID 144605079) has the molecular formula C78H56N4 and a molecular weight of 1049.33 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine
• PubChem CID: 144605079
• Molecular Formula: C78H56N4
• Molecular Weight: 1049.33 g/mol
• Exact Mass: 1048.45
• IUPAC Name: N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine
• SMILES: CC1(C)c2ccccc2-c2c1cc1c3c(cccc23)-c2ccc(-c3ccc(N(c4ccccc4)c4cccnc4)cc3)cc2-1.CC1(C)c2ccccc2-c2c1cc1c3c(cccc23)-c2ccc(N(c3ccccc3)c3cccnc3)cc2-1
• InChI: InChI=1S/C42H30N2.C36H26N2/c1-42(2)38-16-7-6-13-34(38)41-35-15-8-14-33-32-22-19-28(24-36(32)37(40(33)35)25-39(41)42)27-17-20-30(21-18-27)44(29-10-4-3-5-11-29)31-12-9-23-43-26-31;1-36(2)32-16-7-6-13-28(32)35-29-15-8-14-27-26-18-17-24(20-30(26)31(34(27)29)21-33(35)36)38(23-10-4-3-5-11-23)25-12-9-19-37-22-25/h3-26H,1-2H3;3-22H,1-2H3
• InChIKey: CKYQASOPSCOXFU-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.33
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine?

The IUPAC name of N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine (CID 144605079) is N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine.

What is the SMILES notation for N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine?

The canonical SMILES for N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine is CC1(C)c2ccccc2-c2c1cc1c3c(cccc23)-c2ccc(-c3ccc(N(c4ccccc4)c4cccnc4)cc3)cc2-1.CC1(C)c2ccccc2-c2c1cc1c3c(cccc23)-c2ccc(N(c3ccccc3)c3cccnc3)cc2-1.

What is the InChIKey of N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine?

The InChIKey is CKYQASOPSCOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2.C36H26N2/c1-42(2)38-16-7-6-13-34(38)41-35-15-8-14-33-32-22-19-28(24-36(32)37(40(33)35)25-39(41)42)27-17-20-30(21-18-27)44(29-10-4-3-5-11-29)31-12-9-23-43-26-31;1-36(2)32-16-7-6-13-28(32)35-29-15-8-14-27-26-18-17-24(20-30(26)31(34(27)29)21-33(35)36)38(23-10-4-3-5-11-23)25-12-9-19-37-22-25/h3-26H,1-2H3;3-22H,1-2H3.

What are the key properties of N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine?

N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine has a molecular weight of 1049.33 g/mol, XLogP of 20.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)phenyl]-N-phenylpyridin-3-amine;N-(9,9-dimethyl-15-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaenyl)-N-phenylpyridin-3-amine is sourced from PubChem (CID 144605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).