22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene

C60H34I2 — CID 164940150

IUPAC22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene
SMILESIc1cc2c3ccccc3c3cc(I)cc4c5c(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc7c6c(-c6ccccc6)c5c(c1)c2c34
InChIInChI=1S/C60H34I2/c61-41-31-49-43-23-13-14-24-44(43)50-32-42(62)34-52-56(50)55(49)51(33-41)59-53(37-19-9-3-10-20-37)57-47-29-39(35-15-5-1-6-16-35)25-27-45(47)46-28-26-40(36-17-7-2-8-18-36)30-48(46)58(57)54(60(52)59)38-21-11-4-12-22-38/h1-34H
InChIKeyMBYTWGWPBGNOKW-UHFFFAOYSA-N
MW1008.74 g/mol
LogP18.23
Rot. Bonds4

About 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene

22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene (PubChem CID 164940150) has the molecular formula C60H34I2 and a molecular weight of 1008.74 g/mol. Its IUPAC name is 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene.

Molecular Properties

Compound Name22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene
PubChem CID164940150
Molecular FormulaC60H34I2
Molecular Weight1008.74 g/mol
Exact Mass1008.07
IUPAC Name22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene
SMILESIc1cc2c3ccccc3c3cc(I)cc4c5c(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc7c6c(-c6ccccc6)c5c(c1)c2c34
InChIInChI=1S/C60H34I2/c61-41-31-49-43-23-13-14-24-44(43)50-32-42(62)34-52-56(50)55(49)51(33-41)59-53(37-19-9-3-10-20-37)57-47-29-39(35-15-5-1-6-16-35)25-27-45(47)46-28-26-40(36-17-7-2-8-18-36)30-48(46)58(57)54(60(52)59)38-21-11-4-12-22-38/h1-34H
InChIKeyMBYTWGWPBGNOKW-UHFFFAOYSA-N
XLogP18.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.74
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene with MolForge

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Related Compounds

2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
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
3,19,29-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
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
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
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
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

Frequently Asked Questions

What is the IUPAC name of 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene?
The IUPAC name of 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene (CID 164940150) is 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene.
What is the SMILES notation for 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene?
The canonical SMILES for 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene is Ic1cc2c3ccccc3c3cc(I)cc4c5c(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc7c6c(-c6ccccc6)c5c(c1)c2c34.
What is the InChIKey of 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene?
The InChIKey is MBYTWGWPBGNOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34I2/c61-41-31-49-43-23-13-14-24-44(43)50-32-42(62)34-52-56(50)55(49)51(33-41)59-53(37-19-9-3-10-20-37)57-47-29-39(35-15-5-1-6-16-35)25-27-45(47)46-28-26-40(36-17-7-2-8-18-36)30-48(46)58(57)54(60(52)59)38-21-11-4-12-22-38/h1-34H.
What are the key properties of 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene?
22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene has a molecular weight of 1008.74 g/mol, XLogP of 18.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene is sourced from PubChem (CID 164940150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).