23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C174H140N6O6 — CID 166898487

About 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 166898487) has the molecular formula C174H140N6O6 and a molecular weight of 2411.07 g/mol. Its IUPAC name is 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 166898487
• Molecular Formula: C174H140N6O6
• Molecular Weight: 2411.07 g/mol
• Exact Mass: 2409.08
• IUPAC Name: 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C)cc6)c6ccc(CCC(C)(C)c7ccc(N(c8ccc(C(C)(C)C)cc8)c8ccc9cc%10c(cc9c8)oc8c%10ccc9c%10cc%11ccc(N(c%12ccc(C(C)(C)C)cc%12)c%12ccc(C(C)(C)Cc%13ccc(N(c%14ccc%15cc%16c(cc%15c%14)oc%14c%16ccc%15c%16cc%17ccc(N(c%18ccccc%18C)c%18ccccc%18C)cc%17cc%16oc%15%14)c%14ccccc%14C)c(C)c%13)cc%12)cc%11cc%10oc98)cc7)cc6)cc5cc4oc32)cc1
• InChI: InChI=1S/C174H140N6O6/c1-104-30-53-129(54-31-104)175(130-55-32-105(2)33-56-130)137-61-39-113-91-149-143-75-76-144-150-92-114-40-62-138(86-120(114)98-160(150)182-166(144)165(143)181-159(149)97-119(113)85-137)176(131-57-34-106(3)35-58-131)132-59-36-111(37-60-132)82-83-173(14,15)127-49-71-135(72-50-127)177(133-67-45-125(46-68-133)171(8,9)10)139-63-41-115-93-151-145-77-78-146-152-94-116-42-64-140(88-122(116)100-162(152)184-168(146)167(145)183-161(151)99-121(115)87-139)178(134-69-47-126(48-70-134)172(11,12)13)136-73-51-128(52-74-136)174(16,17)103-112-38-81-158(110(7)84-112)180(157-29-23-20-26-109(157)6)142-66-44-118-96-154-148-80-79-147-153-95-117-43-65-141(179(155-27-21-18-24-107(155)4)156-28-22-19-25-108(156)5)89-123(117)101-163(153)185-169(147)170(148)186-164(154)102-124(118)90-142/h18-81,84-102H,82-83,103H2,1-17H3
• InChIKey: ZBPAXKZPBJIHGS-UHFFFAOYSA-N
• XLogP: 51.01
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2411.07
LogP ≤ 5	51.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 166898487) is 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C)cc6)c6ccc(CCC(C)(C)c7ccc(N(c8ccc(C(C)(C)C)cc8)c8ccc9cc%10c(cc9c8)oc8c%10ccc9c%10cc%11ccc(N(c%12ccc(C(C)(C)C)cc%12)c%12ccc(C(C)(C)Cc%13ccc(N(c%14ccc%15cc%16c(cc%15c%14)oc%14c%16ccc%15c%16cc%17ccc(N(c%18ccccc%18C)c%18ccccc%18C)cc%17cc%16oc%15%14)c%14ccccc%14C)c(C)c%13)cc%12)cc%11cc%10oc98)cc7)cc6)cc5cc4oc32)cc1.

What is the InChIKey of 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is ZBPAXKZPBJIHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H140N6O6/c1-104-30-53-129(54-31-104)175(130-55-32-105(2)33-56-130)137-61-39-113-91-149-143-75-76-144-150-92-114-40-62-138(86-120(114)98-160(150)182-166(144)165(143)181-159(149)97-119(113)85-137)176(131-57-34-106(3)35-58-131)132-59-36-111(37-60-132)82-83-173(14,15)127-49-71-135(72-50-127)177(133-67-45-125(46-68-133)171(8,9)10)139-63-41-115-93-151-145-77-78-146-152-94-116-42-64-140(88-122(116)100-162(152)184-168(146)167(145)183-161(151)99-121(115)87-139)178(134-69-47-126(48-70-134)172(11,12)13)136-73-51-128(52-74-136)174(16,17)103-112-38-81-158(110(7)84-112)180(157-29-23-20-26-109(157)6)142-66-44-118-96-154-148-80-79-147-153-95-117-43-65-141(179(155-27-21-18-24-107(155)4)156-28-22-19-25-108(156)5)89-123(117)101-163(153)185-169(147)170(148)186-164(154)102-124(118)90-142/h18-81,84-102H,82-83,103H2,1-17H3.

What are the key properties of 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 2411.07 g/mol, XLogP of 51.01, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 23-N-[4-[3-[4-(4-tert-butyl-N-[23-(4-tert-butyl-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]propan-2-yl]phenyl]anilino)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)phenyl]-3-methylbutyl]phenyl]-8-N,8-N,23-N-tris(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 166898487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).