8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine

C58H42N2 — CID 58309470

IUPAC8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cccc4c5cc6c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cc7c7cccc(c5cc3c24)c76)cc1
InChIInChI=1S/C58H42N2/c1-35-11-19-39(20-12-35)59(40-21-13-36(2)14-22-40)43-27-29-45-51(31-43)47-7-5-9-49-54-34-56-46-30-28-44(60(41-23-15-37(3)16-24-41)42-25-17-38(4)18-26-42)32-52(46)48-8-6-10-50(58(48)56)53(54)33-55(45)57(47)49/h5-34H,1-4H3
InChIKeyRGSZVSAHVPAYOK-UHFFFAOYSA-N
MW766.99 g/mol
LogP16.81
Rot. Bonds6

About 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine

8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine (PubChem CID 58309470) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine
PubChem CID58309470
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC Name8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cccc4c5cc6c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cc7c7cccc(c5cc3c24)c76)cc1
InChIInChI=1S/C58H42N2/c1-35-11-19-39(20-12-35)59(40-21-13-36(2)14-22-40)43-27-29-45-51(31-43)47-7-5-9-49-54-34-56-46-30-28-44(60(41-23-15-37(3)16-24-41)42-25-17-38(4)18-26-42)32-52(46)48-8-6-10-50(58(48)56)53(54)33-55(45)57(47)49/h5-34H,1-4H3
InChIKeyRGSZVSAHVPAYOK-UHFFFAOYSA-N
XLogP16.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine 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

5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
4-N,4-N,17-N,17-N-tetrakis(4-methylphenyl)-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28(36),29,31,33-octadecaene-4,17-diamine
CID 130465409
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
5-N,18-N-bis(4-methylphenyl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260427
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
5-N,18-N-diphenyl-5-N,18-N-bis[4-(3-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010766
N-(4-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 134568085
CID 145486102
CID 145486102
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine?
The IUPAC name of 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine (CID 58309470) is 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine.
What is the SMILES notation for 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine?
The canonical SMILES for 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cccc4c5cc6c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cc7c7cccc(c5cc3c24)c76)cc1.
What is the InChIKey of 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine?
The InChIKey is RGSZVSAHVPAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-35-11-19-39(20-12-35)59(40-21-13-36(2)14-22-40)43-27-29-45-51(31-43)47-7-5-9-49-54-34-56-46-30-28-44(60(41-23-15-37(3)16-24-41)42-25-17-38(4)18-26-42)32-52(46)48-8-6-10-50(58(48)56)53(54)33-55(45)57(47)49/h5-34H,1-4H3.
What are the key properties of 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine?
8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine has a molecular weight of 766.99 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine is sourced from PubChem (CID 58309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).