24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine

C108H64N6 — CID 167105213

IUPAC24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c(ccc6c7ccc(N(c8ccccc8)c8ccc(-c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccccc%12)cc%12c%13c(ccc%14c%15cc(N(c%16ccccc%16)c%16ccccc%16)cc%16c%17ccccc%17n(c%16%15)c%14%13)n%11c%10%12)cc9)cc8)c8c9ccccc9n(c78)c65)n3c24)cc1
InChIInChI=1S/C108H64N6/c1-7-23-65(24-8-1)71-45-52-95-85(57-71)87-59-73(66-25-9-2-10-26-66)61-91-101-98(111(95)104(87)91)55-50-82-81-49-54-97(100-84-36-20-22-38-94(84)114(106(81)100)107(82)101)110(77-33-17-6-18-34-77)78-47-43-69(44-48-78)68-39-41-70(42-40-68)72-46-53-96-86(58-72)88-60-74(67-27-11-3-12-28-67)62-92-102-99(112(96)105(88)92)56-51-83-90-64-79(109(75-29-13-4-14-30-75)76-31-15-5-16-32-76)63-89-80-35-19-21-37-93(80)113(103(89)90)108(83)102/h1-64H
InChIKeyCONBGESJRHRSCW-UHFFFAOYSA-N
MW1445.74 g/mol
LogP29.56
Rot. Bonds11

About 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine

24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine (PubChem CID 167105213) has the molecular formula C108H64N6 and a molecular weight of 1445.74 g/mol. Its IUPAC name is 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine.

Molecular Properties

Compound Name24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine
PubChem CID167105213
Molecular FormulaC108H64N6
Molecular Weight1445.74 g/mol
Exact Mass1444.52
IUPAC Name24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c(ccc6c7ccc(N(c8ccccc8)c8ccc(-c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccccc%12)cc%12c%13c(ccc%14c%15cc(N(c%16ccccc%16)c%16ccccc%16)cc%16c%17ccccc%17n(c%16%15)c%14%13)n%11c%10%12)cc9)cc8)c8c9ccccc9n(c78)c65)n3c24)cc1
InChIInChI=1S/C108H64N6/c1-7-23-65(24-8-1)71-45-52-95-85(57-71)87-59-73(66-25-9-2-10-26-66)61-91-101-98(111(95)104(87)91)55-50-82-81-49-54-97(100-84-36-20-22-38-94(84)114(106(81)100)107(82)101)110(77-33-17-6-18-34-77)78-47-43-69(44-48-78)68-39-41-70(42-40-68)72-46-53-96-86(58-72)88-60-74(67-27-11-3-12-28-67)62-92-102-99(112(96)105(88)92)56-51-83-90-64-79(109(75-29-13-4-14-30-75)76-31-15-5-16-32-76)63-89-80-35-19-21-37-93(80)113(103(89)90)108(83)102/h1-64H
InChIKeyCONBGESJRHRSCW-UHFFFAOYSA-N
XLogP29.56
TPSA24.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.74
LogP ≤ 529.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine with MolForge

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Related Compounds

N,N,24,29-tetraphenyl-15,20-diazanonacyclo[18.10.1.14,8.02,19.03,16.09,14.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),4(32),5,7,9,11,13,17,21(26),22,24,27(31),28-pentadecaen-7-amine
CID 167105094
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
13-N,28-N-diphenyl-13-N,28-N-bis(3-phenylphenyl)-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 138506964
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 163611980
10-N,10-N,23-N,23-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaene-10,23-diamine
CID 168856514
13-N,28-N-bis(2,4-diphenylphenyl)-13-N,28-N-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 138506916
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 123734450
13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-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;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene
CID 159051744
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 145355220
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
9,24-bis(4-tert-butylphenyl)-13-N,13-N,28-N,28-N-tetraphenyl-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343490

Frequently Asked Questions

What is the IUPAC name of 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine?
The IUPAC name of 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine (CID 167105213) is 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine.
What is the SMILES notation for 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine?
The canonical SMILES for 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c(ccc6c7ccc(N(c8ccccc8)c8ccc(-c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccccc%12)cc%12c%13c(ccc%14c%15cc(N(c%16ccccc%16)c%16ccccc%16)cc%16c%17ccccc%17n(c%16%15)c%14%13)n%11c%10%12)cc9)cc8)c8c9ccccc9n(c78)c65)n3c24)cc1.
What is the InChIKey of 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine?
The InChIKey is CONBGESJRHRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H64N6/c1-7-23-65(24-8-1)71-45-52-95-85(57-71)87-59-73(66-25-9-2-10-26-66)61-91-101-98(111(95)104(87)91)55-50-82-81-49-54-97(100-84-36-20-22-38-94(84)114(106(81)100)107(82)101)110(77-33-17-6-18-34-77)78-47-43-69(44-48-78)68-39-41-70(42-40-68)72-46-53-96-86(58-72)88-60-74(67-27-11-3-12-28-67)62-92-102-99(112(96)105(88)92)56-51-83-90-64-79(109(75-29-13-4-14-30-75)76-31-15-5-16-32-76)63-89-80-35-19-21-37-93(80)113(103(89)90)108(83)102/h1-64H.
What are the key properties of 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine?
24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine has a molecular weight of 1445.74 g/mol, XLogP of 29.56, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine is sourced from PubChem (CID 167105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).