N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

C70H42N4 — CID 166084594

About N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (PubChem CID 166084594) has the molecular formula C70H42N4 and a molecular weight of 939.13 g/mol. Its IUPAC name is N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• PubChem CID: 166084594
• Molecular Formula: C70H42N4
• Molecular Weight: 939.13 g/mol
• Exact Mass: 938.34
• IUPAC Name: N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• SMILES: c1ccc(-c2ccc3[nH]c4c(-c5cc(N(c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c6ccc7c(c6)c6cccc8c9ccccc9n7c86)cc6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1
• InChI: InChI=1S/C70H42N4/c1-3-15-42(16-4-1)44-29-32-63-58(36-44)62-38-46(43-17-5-2-6-18-43)37-61(68(62)71-63)57-41-49(35-45-19-7-8-20-50(45)57)72(47-30-33-66-59(39-47)55-25-13-23-53-51-21-9-11-27-64(51)73(66)69(53)55)48-31-34-67-60(40-48)56-26-14-24-54-52-22-10-12-28-65(52)74(67)70(54)56/h1-41,71H
• InChIKey: FUAPEEYDMMYYAH-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 27.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.13
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The IUPAC name of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (CID 166084594) is N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

What is the SMILES notation for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The canonical SMILES for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is c1ccc(-c2ccc3[nH]c4c(-c5cc(N(c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c6ccc7c(c6)c6cccc8c9ccccc9n7c86)cc6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1.

What is the InChIKey of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The InChIKey is FUAPEEYDMMYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4/c1-3-15-42(16-4-1)44-29-32-63-58(36-44)62-38-46(43-17-5-2-6-18-43)37-61(68(62)71-63)57-41-49(35-45-19-7-8-20-50(45)57)72(47-30-33-66-59(39-47)55-25-13-23-53-51-21-9-11-27-64(51)73(66)69(53)55)48-31-34-67-60(40-48)56-26-14-24-54-52-22-10-12-28-65(52)74(67)70(54)56/h1-41,71H.

What are the key properties of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine has a molecular weight of 939.13 g/mol, XLogP of 19.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(3,6-diphenyl-9H-carbazol-1-yl)naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is sourced from PubChem (CID 166084594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).