2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene

C46H28 — CID 59642436

IUPAC2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene
SMILESc1ccc(-c2cccc3ccc(-c4ccc5c6c(-c7ccccc7)c7ccccc7c7cccc(c8cccc4c85)c76)cc23)cc1
InChIInChI=1S/C46H28/c1-3-12-29(13-4-1)33-19-9-16-30-24-25-32(28-42(30)33)34-26-27-41-44-36(34)20-10-22-39(44)40-23-11-21-38-35-17-7-8-18-37(35)43(46(41)45(38)40)31-14-5-2-6-15-31/h1-28H
InChIKeyPIYDQCNUDAKQHM-UHFFFAOYSA-N
MW580.73 g/mol
LogP13.04
Rot. Bonds3

About 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene

2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene (PubChem CID 59642436) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene.

Molecular Properties

Compound Name2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene
PubChem CID59642436
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene
SMILESc1ccc(-c2cccc3ccc(-c4ccc5c6c(-c7ccccc7)c7ccccc7c7cccc(c8cccc4c85)c76)cc23)cc1
InChIInChI=1S/C46H28/c1-3-12-29(13-4-1)33-19-9-16-30-24-25-32(28-42(30)33)34-26-27-41-44-36(34)20-10-22-39(44)40-23-11-21-38-35-17-7-8-18-37(35)43(46(41)45(38)40)31-14-5-2-6-15-31/h1-28H
InChIKeyPIYDQCNUDAKQHM-UHFFFAOYSA-N
XLogP13.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-naphthalen-1-yl-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-tridecaene
CID 123973018
6,13-diphenylheptacyclo[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-tridecaene
CID 168812651
8-(6,8-diphenylnaphthalen-2-yl)-3,15-diphenyloctacyclo[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 164944567
6,13,16-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-tridecaene
CID 123300360
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
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[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
CID 153419758
3,15-diphenyl-10-(2-phenylnaphthalen-1-yl)octacyclo[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
CID 58068268
8-(2,6-diphenylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7,9,11(26),12,14,16,18(25),19,21,23-tridecaene
CID 123422709
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
35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene
CID 58927054
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene?
The IUPAC name of 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene (CID 59642436) is 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene.
What is the SMILES notation for 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene?
The canonical SMILES for 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene is c1ccc(-c2cccc3ccc(-c4ccc5c6c(-c7ccccc7)c7ccccc7c7cccc(c8cccc4c85)c76)cc23)cc1.
What is the InChIKey of 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene?
The InChIKey is PIYDQCNUDAKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-3-12-29(13-4-1)33-19-9-16-30-24-25-32(28-42(30)33)34-26-27-41-44-36(34)20-10-22-39(44)40-23-11-21-38-35-17-7-8-18-37(35)43(46(41)45(38)40)31-14-5-2-6-15-31/h1-28H.
What are the key properties of 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene?
2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene has a molecular weight of 580.73 g/mol, XLogP of 13.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene is sourced from PubChem (CID 59642436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).