8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine

C86H53N7 — CID 170534751

IUPAC8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine
SMILESc1ccc(-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n4c3c(c2)c2c3nc5c6ccccc6c6ccccc6c5nc3c3c5cc(N(c6ccccc6)c6ccccc6)cc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(c65)c3c24)cc1
InChIInChI=1S/C86H53N7/c1-8-26-54(27-9-1)55-48-71-69-50-62(89(56-28-10-2-11-29-56)57-30-12-3-13-31-57)44-46-75(69)92-83(71)73(49-55)77-81-82(88-80-68-43-25-23-41-66(68)65-40-22-24-42-67(65)79(80)87-81)78-74-53-64(91(60-36-18-6-19-37-60)61-38-20-7-21-39-61)52-72-70-51-63(45-47-76(70)93(84(72)74)86(78)85(77)92)90(58-32-14-4-15-33-58)59-34-16-5-17-35-59/h1-53H
InChIKeySKTZECUBNNYVAV-UHFFFAOYSA-N
MW1184.42 g/mol
LogP23.47
Rot. Bonds10

About 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine

8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine (PubChem CID 170534751) has the molecular formula C86H53N7 and a molecular weight of 1184.42 g/mol. Its IUPAC name is 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine.

Molecular Properties

Compound Name8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine
PubChem CID170534751
Molecular FormulaC86H53N7
Molecular Weight1184.42 g/mol
Exact Mass1183.44
IUPAC Name8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine
SMILESc1ccc(-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n4c3c(c2)c2c3nc5c6ccccc6c6ccccc6c5nc3c3c5cc(N(c6ccccc6)c6ccccc6)cc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(c65)c3c24)cc1
InChIInChI=1S/C86H53N7/c1-8-26-54(27-9-1)55-48-71-69-50-62(89(56-28-10-2-11-29-56)57-30-12-3-13-31-57)44-46-75(69)92-83(71)73(49-55)77-81-82(88-80-68-43-25-23-41-66(68)65-40-22-24-42-67(65)79(80)87-81)78-74-53-64(91(60-36-18-6-19-37-60)61-38-20-7-21-39-61)52-72-70-51-63(45-47-76(70)93(84(72)74)86(78)85(77)92)90(58-32-14-4-15-33-58)59-34-16-5-17-35-59/h1-53H
InChIKeySKTZECUBNNYVAV-UHFFFAOYSA-N
XLogP23.47
TPSA44.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.42
LogP ≤ 523.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
6-N,16-N-bis(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)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031794
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
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
4-[26,44-bis[4-(N-phenylanilino)phenyl]-3,18,21,36,39,54-hexazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11,13,15,18,20,22(35),23(28),24,26,29,31,33,36,38,40(53),41(46),42,44,47,49,51-heptacosaen-8-yl]-N,N-diphenylaniline
CID 102314208
8-N,8-N,13-N,13-N,38-N,38-N,43-N,43-N-octakis-phenyl-1,4,6,18,21,30,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2(35),3(16),5(10),6,8,11(48),12,14,17,19,21,23,25,27,29,31,33,36,38,40(47),41(46),42,44-tricosaene-8,13,38,43-tetramine
CID 170534691
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-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane
CID 144521052
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-[4,6-bis(4-phenylphenyl)pyrimidin-2-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 163867138
N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
CID 126577865
N-[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]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 118188127

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine?
The IUPAC name of 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine (CID 170534751) is 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine.
What is the SMILES notation for 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine?
The canonical SMILES for 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine is c1ccc(-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n4c3c(c2)c2c3nc5c6ccccc6c6ccccc6c5nc3c3c5cc(N(c6ccccc6)c6ccccc6)cc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(c65)c3c24)cc1.
What is the InChIKey of 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine?
The InChIKey is SKTZECUBNNYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H53N7/c1-8-26-54(27-9-1)55-48-71-69-50-62(89(56-28-10-2-11-29-56)57-30-12-3-13-31-57)44-46-75(69)92-83(71)73(49-55)77-81-82(88-80-68-43-25-23-41-66(68)65-40-22-24-42-67(65)79(80)87-81)78-74-53-64(91(60-36-18-6-19-37-60)61-38-20-7-21-39-61)52-72-70-51-63(45-47-76(70)93(84(72)74)86(78)85(77)92)90(58-32-14-4-15-33-58)59-34-16-5-17-35-59/h1-53H.
What are the key properties of 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine?
8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine has a molecular weight of 1184.42 g/mol, XLogP of 23.47, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,13-N,13-N,43-N,43-N,38-heptakis-phenyl-1,4,18,33-tetrazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20,22,24,26,28,30,32,34,36,38,40(47),41(46),42,44-tricosaene-8,13,43-triamine is sourced from PubChem (CID 170534751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).