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

C50H30 — CID 123422709

IUPAC8-(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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c4c(-c5ccccc5)c5cccc6c7ccccc7c(c56)c4c4cccc2c34)cc1
InChIInChI=1S/C50H30/c1-4-15-31(16-5-1)34-23-12-24-35(32-17-6-2-7-18-32)45(34)40-29-30-43-46-39(40)26-14-28-42(46)50-48-38-22-11-10-21-36(38)37-25-13-27-41(47(37)48)44(49(43)50)33-19-8-3-9-20-33/h1-30H
InChIKeyBSWLRCOLZQVEDB-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.15
Rot. Bonds4

About 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

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 (PubChem CID 123422709) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123422709
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name8-(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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c4c(-c5ccccc5)c5cccc6c7ccccc7c(c56)c4c4cccc2c34)cc1
InChIInChI=1S/C50H30/c1-4-15-31(16-5-1)34-23-12-24-35(32-17-6-2-7-18-32)45(34)40-29-30-43-46-39(40)26-14-28-42(46)50-48-38-22-11-10-21-36(38)37-25-13-27-41(47(37)48)44(49(43)50)33-19-8-3-9-20-33/h1-30H
InChIKeyBSWLRCOLZQVEDB-UHFFFAOYSA-N
XLogP14.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
boranuide;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-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;7,14,37-triphenyltridecacyclo[21.18.2.22,5.125,32.03,19.04,16.06,15.08,13.020,42.024,38.026,31.039,43.036,44]hexatetraconta-1(41),2(46),3(19),4(16),5(45),6,8,10,12,14,17,20(42),21,23(43),24,26,28,30,32(44),33,35,37,39-tricosaene
CID 157120160
7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
CID 59080775
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
19-phenyl-8-(4-phenylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642391
4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene
CID 123456482
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
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
37-phenyltridecacyclo[21.18.2.22,5.125,32.03,19.04,16.06,15.08,13.020,42.024,38.026,31.039,43.036,44]hexatetraconta-1(41),2(46),3(19),4(16),5(45),6,8,10,12,14,17,20(42),21,23(43),24,26,28,30,32(44),33,35,37,39-tricosaene
CID 123783192
5,14,16,21-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene
CID 59642470
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c4c(-c5ccccc5)c5cccc6c7ccccc7c(c56)c4c4cccc2c34)cc1.
What is the InChIKey of 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?
The InChIKey is BSWLRCOLZQVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-4-15-31(16-5-1)34-23-12-24-35(32-17-6-2-7-18-32)45(34)40-29-30-43-46-39(40)26-14-28-42(46)50-48-38-22-11-10-21-36(38)37-25-13-27-41(47(37)48)44(49(43)50)33-19-8-3-9-20-33/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 630.79 g/mol, XLogP of 14.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123422709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).