13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C180H146N8 — CID 167304200

About 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 167304200) has the molecular formula C180H146N8 and a molecular weight of 2421.20 g/mol. Its IUPAC name is 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 167304200
• Molecular Formula: C180H146N8
• Molecular Weight: 2421.20 g/mol
• Exact Mass: 2419.17
• IUPAC Name: 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2cc(-c3ccccc3)ccc2C)c2cc(-c3cccc(CC(C)c5c(C)cc(N(c6cc(C)c(C(C)C)c(C)c6)c6ccc7c8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8n8c%10ccccc%10c6c78)c6ccc(N(c7cc(C)c(C(C)C)c(C)c7)c7cc(C)c(C(C)C)c(C)c7)c7c8ccccc8n9c67)cc5C)c3)ccc2C)c2c3ccccc3n4c12
• InChI: InChI=1S/C180H146N8/c1-104(2)157-112(12)91-133(92-113(157)13)181(134-93-114(14)158(105(3)4)115(15)94-134)149-86-82-141-169-161(124-57-33-23-34-58-124)178-170(162(125-59-35-24-36-60-125)177(169)185-145-70-45-41-66-137(145)165(149)173(141)185)142-83-87-150(166-138-67-42-46-71-146(138)186(178)174(142)166)182(135-95-116(16)159(106(5)6)117(17)96-135)136-97-118(18)160(119(19)98-136)111(11)90-120-50-49-65-128(99-120)132-81-77-110(10)156(103-132)184(155-102-131(80-76-109(155)9)123-55-31-22-32-56-123)152-89-85-144-172-164(127-63-39-26-40-64-127)179-171(163(126-61-37-25-38-62-126)180(172)188-148-73-48-44-69-140(148)168(152)176(144)188)143-84-88-151(167-139-68-43-47-72-147(139)187(179)175(143)167)183(153-100-129(78-74-107(153)7)121-51-27-20-28-52-121)154-101-130(79-75-108(154)8)122-53-29-21-30-54-122/h20-89,91-106,111H,90H2,1-19H3
• InChIKey: WGZYDAWTUDHESS-UHFFFAOYSA-N
• XLogP: 50.92
• TPSA: 30.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2421.20
LogP ≤ 5	50.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 167304200) is 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2cc(-c3ccccc3)ccc2C)c2cc(-c3cccc(CC(C)c5c(C)cc(N(c6cc(C)c(C(C)C)c(C)c6)c6ccc7c8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8n8c%10ccccc%10c6c78)c6ccc(N(c7cc(C)c(C(C)C)c(C)c7)c7cc(C)c(C(C)C)c(C)c7)c7c8ccccc8n9c67)cc5C)c3)ccc2C)c2c3ccccc3n4c12.

What is the InChIKey of 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is WGZYDAWTUDHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H146N8/c1-104(2)157-112(12)91-133(92-113(157)13)181(134-93-114(14)158(105(3)4)115(15)94-134)149-86-82-141-169-161(124-57-33-23-34-58-124)178-170(162(125-59-35-24-36-60-125)177(169)185-145-70-45-41-66-137(145)165(149)173(141)185)142-83-87-150(166-138-67-42-46-71-146(138)186(178)174(142)166)182(135-95-116(16)159(106(5)6)117(17)96-135)136-97-118(18)160(119(19)98-136)111(11)90-120-50-49-65-128(99-120)132-81-77-110(10)156(103-132)184(155-102-131(80-76-109(155)9)123-55-31-22-32-56-123)152-89-85-144-172-164(127-63-39-26-40-64-127)179-171(163(126-61-37-25-38-62-126)180(172)188-148-73-48-44-69-140(148)168(152)176(144)188)143-84-88-151(167-139-68-43-47-72-147(139)187(179)175(143)167)183(153-100-129(78-74-107(153)7)121-51-27-20-28-52-121)154-101-130(79-75-108(154)8)122-53-29-21-30-54-122/h20-89,91-106,111H,90H2,1-19H3.

What are the key properties of 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 2421.20 g/mol, XLogP of 50.92, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N-[3,5-dimethyl-4-[1-[3-[4-methyl-3-(2-methyl-N-[28-(2-methyl-N-(2-methyl-5-phenylphenyl)-5-phenylanilino)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-5-phenylanilino)phenyl]phenyl]propan-2-yl]phenyl]-13-N,28-N,28-N-tris(3,5-dimethyl-4-propan-2-ylphenyl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 167304200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).