N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine

C53H33N — CID 88888778

IUPACN-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine
SMILESCN(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cc4ccccc4c1c23)c65
InChIInChI=1S/C53H33N/c1-54(35-21-9-4-10-22-35)45-29-28-41-50-43(30-34-20-11-12-23-36(34)51(45)50)53-47(33-18-7-3-8-19-33)49-40-27-15-26-39-37-24-13-14-25-38(37)42(48(39)40)31-44(49)46(52(41)53)32-16-5-2-6-17-32/h2-31H,1H3
InChIKeyDMIYJTMPSLSSOB-UHFFFAOYSA-N
MW683.85 g/mol
LogP14.89
Rot. Bonds4

About N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine

N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine (PubChem CID 88888778) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine.

Molecular Properties

Compound NameN-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine
PubChem CID88888778
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC NameN-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine
SMILESCN(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cc4ccccc4c1c23)c65
InChIInChI=1S/C53H33N/c1-54(35-21-9-4-10-22-35)45-29-28-41-50-43(30-34-20-11-12-23-36(34)51(45)50)53-47(33-18-7-3-8-19-33)49-40-27-15-26-39-37-24-13-14-25-38(37)42(48(39)40)31-44(49)46(52(41)53)32-16-5-2-6-17-32/h2-31H,1H3
InChIKeyDMIYJTMPSLSSOB-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine with MolForge

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Related Compounds

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CID 58068321
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CID 142318881
8-(2,6-dimethylphenyl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5(34),6,8,10,12,14,16,19,21,23,25(33),26,28,30-heptadecaene
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3-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642464
3,19,29-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123525699
3,19,28-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123320260
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 58068171
3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
CID 123989486
3,19-bis(4-phenylphenyl)tridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
CID 159461885
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
4-(3,19-diphenyl-30-decacyclo[19.15.1.15,9.02,20.04,18.010,15.025,37.026,35.027,32.016,38]octatriaconta-1(37),2,4(18),5,7,9(38),10,12,14,16,19,21,23,25,27(32),28,30,33,35-nonadecaenyl)benzonitrile
CID 155283408
12-phenoxy-3,21-diphenyldecacyclo[22.10.1.115,19.02,22.04,20.05,18.08,17.011,16.025,30.031,35]hexatriaconta-1(34),2(22),3,5(18),6,8(17),9,11,13,15,19(36),20,23,25,27,29,31(35),32-octadecaene
CID 89341866

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine?
The IUPAC name of N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine (CID 88888778) is N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine.
What is the SMILES notation for N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine?
The canonical SMILES for N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine is CN(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cc4ccccc4c1c23)c65.
What is the InChIKey of N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine?
The InChIKey is DMIYJTMPSLSSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N/c1-54(35-21-9-4-10-22-35)45-29-28-41-50-43(30-34-20-11-12-23-36(34)51(45)50)53-47(33-18-7-3-8-19-33)49-40-27-15-26-39-37-24-13-14-25-38(37)42(48(39)40)31-44(49)46(52(41)53)32-16-5-2-6-17-32/h2-31H,1H3.
What are the key properties of N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine?
N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine has a molecular weight of 683.85 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,3,19-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10,12,14,16,19,21(33),22,24,26,28,30-heptadecaen-24-amine is sourced from PubChem (CID 88888778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).