16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine

C54H34N2 — CID 89357431

IUPAC16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
SMILESc1ccc(N(c2ccccc2)c2c3cc4ccccc4c4ccc5c(N(c6ccccc6)c6ccccc6)c6cc7ccccc7c7ccc2c(c67)c5c34)cc1
InChIInChI=1S/C54H34N2/c1-5-19-37(20-6-1)55(38-21-7-2-8-22-38)53-45-31-29-44-42-28-16-14-18-36(42)34-48-50(44)51(45)52-46(32-30-43-41-27-15-13-17-35(41)33-47(53)49(43)52)54(48)56(39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H
InChIKeyHWSZPGNGEJHHTO-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.57
Rot. Bonds6

About 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine

16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine (PubChem CID 89357431) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine.

Molecular Properties

Compound Name16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
PubChem CID89357431
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
SMILESc1ccc(N(c2ccccc2)c2c3cc4ccccc4c4ccc5c(N(c6ccccc6)c6ccccc6)c6cc7ccccc7c7ccc2c(c67)c5c34)cc1
InChIInChI=1S/C54H34N2/c1-5-19-37(20-6-1)55(38-21-7-2-8-22-38)53-45-31-29-44-42-28-16-14-18-36(42)34-48-50(44)51(45)52-46(32-30-43-41-27-15-13-17-35(41)33-47(53)49(43)52)54(48)56(39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H
InChIKeyHWSZPGNGEJHHTO-UHFFFAOYSA-N
XLogP15.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine with MolForge

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Related Compounds

5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
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CID 23568249
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
16,30-diphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene
CID 86210878
undecacyclo[19.17.1.12,16.13,7.126,34.08,13.025,39.028,33.015,42.020,41.038,40]dotetraconta-1(39),2(41),3,5,7(42),8,10,12,14,16,18,20,22,24,26,28,30,32,34(40),35,37-henicosaene
CID 101161805
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643

Frequently Asked Questions

What is the IUPAC name of 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine?
The IUPAC name of 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine (CID 89357431) is 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine.
What is the SMILES notation for 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine?
The canonical SMILES for 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine is c1ccc(N(c2ccccc2)c2c3cc4ccccc4c4ccc5c(N(c6ccccc6)c6ccccc6)c6cc7ccccc7c7ccc2c(c67)c5c34)cc1.
What is the InChIKey of 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine?
The InChIKey is HWSZPGNGEJHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-5-19-37(20-6-1)55(38-21-7-2-8-22-38)53-45-31-29-44-42-28-16-14-18-36(42)34-48-50(44)51(45)52-46(32-30-43-41-27-15-13-17-35(41)33-47(53)49(43)52)54(48)56(39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H.
What are the key properties of 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine?
16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine has a molecular weight of 710.88 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine is sourced from PubChem (CID 89357431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).