(Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine

C62H41N3 — CID 142324684

About (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine

(Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine (PubChem CID 142324684) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine
• PubChem CID: 142324684
• Molecular Formula: C62H41N3
• Molecular Weight: 828.03 g/mol
• Exact Mass: 827.33
• IUPAC Name: (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine
• SMILES: [H]/N=C(/C=C(/c1cccc2ccccc12)n1c2ccccc2c2cc(-c3ccc4c(c3)-c3ccc5c(ccc6c5c5cccc7c8ccccc8n6c75)c3C4(C)C)ccc21)c1ccccc1
• InChI: InChI=1S/C62H41N3/c1-62(2)52-31-26-39(34-50(52)47-29-28-45-46(60(47)62)30-33-57-59(45)49-23-13-22-48-43-19-8-11-25-55(43)65(57)61(48)49)40-27-32-56-51(35-40)44-20-9-10-24-54(44)64(56)58(36-53(63)38-15-4-3-5-16-38)42-21-12-17-37-14-6-7-18-41(37)42/h3-36,63H,1-2H3/b58-36-,63-53-
• InChIKey: AEPMCUSKITVZQE-JMCRGEMOSA-N
• XLogP: 16.18
• TPSA: 33.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.03
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine?

The IUPAC name of (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine (CID 142324684) is (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine.

What is the SMILES notation for (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine?

The canonical SMILES for (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine is [H]/N=C(/C=C(/c1cccc2ccccc12)n1c2ccccc2c2cc(-c3ccc4c(c3)-c3ccc5c(ccc6c5c5cccc7c8ccccc8n6c75)c3C4(C)C)ccc21)c1ccccc1.

What is the InChIKey of (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine?

The InChIKey is AEPMCUSKITVZQE-JMCRGEMOSA-N. The full InChI is InChI=1S/C62H41N3/c1-62(2)52-31-26-39(34-50(52)47-29-28-45-46(60(47)62)30-33-57-59(45)49-23-13-22-48-43-19-8-11-25-55(43)65(57)61(48)49)40-27-32-56-51(35-40)44-20-9-10-24-54(44)64(56)58(36-53(63)38-15-4-3-5-16-38)42-21-12-17-37-14-6-7-18-41(37)42/h3-36,63H,1-2H3/b58-36-,63-53-.

What are the key properties of (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine?

(Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine has a molecular weight of 828.03 g/mol, XLogP of 16.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[3-(13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26(30),27-tetradecaen-9-yl)carbazol-9-yl]-3-naphthalen-1-yl-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 142324684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).