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

C53H29N — CID 89348794

IUPAC2-(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
SMILESc1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5ccc(-c6ccccn6)c6cccc(c23)c65)c2cc3cccc5ccc6ccc4c2c6c53)cc1
InChIInChI=1S/C53H29N/c1-3-11-30(12-4-1)47-43-28-40-37-23-22-33-21-20-32-15-9-16-34-27-42(51(37)49(33)46(32)34)41(40)29-44(43)48(31-13-5-2-6-14-31)53-39-25-24-35(45-19-7-8-26-54-45)36-17-10-18-38(50(36)39)52(47)53/h1-29H
InChIKeyDJLBAWVWKKKCAS-UHFFFAOYSA-N
MW679.82 g/mol
LogP14.77
Rot. Bonds3

About 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

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 (PubChem CID 89348794) has the molecular formula C53H29N and a molecular weight of 679.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID89348794
Molecular FormulaC53H29N
Molecular Weight679.82 g/mol
Exact Mass679.23
IUPAC Name2-(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
SMILESc1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5ccc(-c6ccccn6)c6cccc(c23)c65)c2cc3cccc5ccc6ccc4c2c6c53)cc1
InChIInChI=1S/C53H29N/c1-3-11-30(12-4-1)47-43-28-40-37-23-22-33-21-20-32-15-9-16-34-27-42(51(37)49(33)46(32)34)41(40)29-44(43)48(31-13-5-2-6-14-31)53-39-25-24-35(45-19-7-8-26-54-45)36-17-10-18-38(50(36)39)52(47)53/h1-29H
InChIKeyDJLBAWVWKKKCAS-UHFFFAOYSA-N
XLogP14.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine
CID 89470958
3,10,19-triphenylnonacyclo[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 58470850
23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene
CID 123209791
10,26-dinaphthalen-1-yl-3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(29),2,4(18),5,7(30),8,10,12,14,16,19,21,23,25,27-pentadecaene
CID 123976899
5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene
CID 123554525
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
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,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
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
3,19-bis(2-phenylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene
CID 140785297
10,17,28,35-tetraphenyldodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.011,16.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9,11,13,15,17,19,22,25,27,29,31,33,35,37(41),38-henicosaene
CID 20769968

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5ccc(-c6ccccn6)c6cccc(c23)c65)c2cc3cccc5ccc6ccc4c2c6c53)cc1.
What is the InChIKey of 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?
The InChIKey is DJLBAWVWKKKCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29N/c1-3-11-30(12-4-1)47-43-28-40-37-23-22-33-21-20-32-15-9-16-34-27-42(51(37)49(33)46(32)34)41(40)29-44(43)48(31-13-5-2-6-14-31)53-39-25-24-35(45-19-7-8-26-54-45)36-17-10-18-38(50(36)39)52(47)53/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 679.82 g/mol, XLogP of 14.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89348794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).