2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine

C47H29N — CID 155786141

IUPAC2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine
SMILESCc1cc2c(-c3ccccn3)c(C)cc3c4cc5c(cc4c(c1)c23)c(-c1ccccc1)c1c2ccccc2c2c3ccccc3cc5c12
InChIInChI=1S/C47H29N/c1-26-20-36-34-25-39-35(24-33(34)37-22-27(2)42(40(21-26)44(36)37)41-18-10-11-19-48-41)38-23-29-14-6-7-15-30(29)45-31-16-8-9-17-32(31)46(47(38)45)43(39)28-12-4-3-5-13-28/h3-25H,1-2H3
InChIKeyPDLDOHYMNWNNLO-UHFFFAOYSA-N
MW607.76 g/mol
LogP13.13
Rot. Bonds2

About 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine

2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine (PubChem CID 155786141) has the molecular formula C47H29N and a molecular weight of 607.76 g/mol. Its IUPAC name is 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine.

Molecular Properties

Compound Name2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine
PubChem CID155786141
Molecular FormulaC47H29N
Molecular Weight607.76 g/mol
Exact Mass607.23
IUPAC Name2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine
SMILESCc1cc2c(-c3ccccn3)c(C)cc3c4cc5c(cc4c(c1)c23)c(-c1ccccc1)c1c2ccccc2c2c3ccccc3cc5c12
InChIInChI=1S/C47H29N/c1-26-20-36-34-25-39-35(24-33(34)37-22-27(2)42(40(21-26)44(36)37)41-18-10-11-19-48-41)38-23-29-14-6-7-15-30(29)45-31-16-8-9-17-32(31)46(47(38)45)43(39)28-12-4-3-5-13-28/h3-25H,1-2H3
InChIKeyPDLDOHYMNWNNLO-UHFFFAOYSA-N
XLogP13.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine with MolForge

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Related Compounds

9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole
CID 155786134
2-(3,25-diphenyl-32-decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(35),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33-octadecaenyl)pyridine
CID 89348794
2-(13-phenyl-6-pyridin-2-yl-16-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine
CID 68642568
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
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
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
CID 123301844
9,13-ditert-butyl-5,17-diphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7(34),8,10,12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470908
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
3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11(30),12,14,16,19,21,23,25(29),26-pentadecaene
CID 22639653
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
15-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5,7,9(30),10,12,15,17,19,21,23,25(29),26-pentadecaene
CID 58068210
N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine
CID 158538716

Frequently Asked Questions

What is the IUPAC name of 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine?
The IUPAC name of 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine (CID 155786141) is 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine.
What is the SMILES notation for 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine?
The canonical SMILES for 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine is Cc1cc2c(-c3ccccn3)c(C)cc3c4cc5c(cc4c(c1)c23)c(-c1ccccc1)c1c2ccccc2c2c3ccccc3cc5c12.
What is the InChIKey of 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine?
The InChIKey is PDLDOHYMNWNNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N/c1-26-20-36-34-25-39-35(24-33(34)37-22-27(2)42(40(21-26)44(36)37)41-18-10-11-19-48-41)38-23-29-14-6-7-15-30(29)45-31-16-8-9-17-32(31)46(47(38)45)43(39)28-12-4-3-5-13-28/h3-25H,1-2H3.
What are the key properties of 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine?
2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine has a molecular weight of 607.76 g/mol, XLogP of 13.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,11-dimethyl-17-phenyl-8-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5,7,9,11,13(34),14,17,19,21,23,25(33),26,28,30-heptadecaenyl)pyridine is sourced from PubChem (CID 155786141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).