8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C134H86N8 — CID 167227393

About 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 167227393) has the molecular formula C134H86N8 and a molecular weight of 1808.22 g/mol. Its IUPAC name is 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 167227393
• Molecular Formula: C134H86N8
• Molecular Weight: 1808.22 g/mol
• Exact Mass: 1806.70
• IUPAC Name: 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: Cc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccc(-c5cccc(N(c7ccccc7)c7ccc8c9cccc%10c%11c(-c%12ccccc%12)c%12c(c(-c%13ccccc%13)c%11n(c8c7)c9%10)c7cccc8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9n%12c87)c5)cc4C)cc3n6c21
• InChI: InChI=1S/C134H86N8/c1-83-37-30-31-66-113(83)137(94-53-26-10-27-54-94)99-70-74-103-107-60-35-64-111-125-122(88-44-18-6-19-45-88)134-126(121(87-42-16-5-17-43-87)133(125)141(129(107)111)117(103)81-99)112-65-36-61-108-104-75-71-100(82-118(104)142(134)130(108)112)138(95-55-28-11-29-56-95)114-76-67-90(77-84(114)2)89-46-32-57-96(78-89)136(93-51-24-9-25-52-93)98-69-73-102-106-59-34-63-110-124-119(85-38-12-3-13-39-85)131-123(120(86-40-14-4-15-41-86)132(124)140(128(106)110)116(102)80-98)109-62-33-58-105-101-72-68-97(79-115(101)139(131)127(105)109)135(91-47-20-7-21-48-91)92-49-22-8-23-50-92/h3-82H,1-2H3
• InChIKey: SPLHDHJKBLFYIO-UHFFFAOYSA-N
• XLogP: 37.12
• TPSA: 30.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1808.22
LogP ≤ 5	37.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 167227393) is 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is Cc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccc(-c5cccc(N(c7ccccc7)c7ccc8c9cccc%10c%11c(-c%12ccccc%12)c%12c(c(-c%13ccccc%13)c%11n(c8c7)c9%10)c7cccc8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9n%12c87)c5)cc4C)cc3n6c21.

What is the InChIKey of 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is SPLHDHJKBLFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H86N8/c1-83-37-30-31-66-113(83)137(94-53-26-10-27-54-94)99-70-74-103-107-60-35-64-111-125-122(88-44-18-6-19-45-88)134-126(121(87-42-16-5-17-43-87)133(125)141(129(107)111)117(103)81-99)112-65-36-61-108-104-75-71-100(82-118(104)142(134)130(108)112)138(95-55-28-11-29-56-95)114-76-67-90(77-84(114)2)89-46-32-57-96(78-89)136(93-51-24-9-25-52-93)98-69-73-102-106-59-34-63-110-124-119(85-38-12-3-13-39-85)131-123(120(86-40-14-4-15-41-86)132(124)140(128(106)110)116(102)80-98)109-62-33-58-105-101-72-68-97(79-115(101)139(131)127(105)109)135(91-47-20-7-21-48-91)92-49-22-8-23-50-92/h3-82H,1-2H3.

What are the key properties of 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 1808.22 g/mol, XLogP of 37.12, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[3-[3-methyl-4-(N-[23-(N-(2-methylphenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)phenyl]phenyl]-8-N,23-N,23-N,3,18-pentakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 167227393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).