19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene

C62H38 — CID 58309751

IUPAC19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
SMILESc1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cc7ccccc7c7ccccc67)ccc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1
InChIInChI=1S/C62H38/c1-3-16-39(17-4-1)41-22-13-24-46(34-41)58-53-33-32-45(55-36-43-20-7-9-26-48(43)50-28-11-12-29-51(50)55)37-56(53)59(47-25-14-23-42(35-47)40-18-5-2-6-19-40)62-57-38-44-21-8-10-27-49(44)52-30-15-31-54(60(52)57)61(58)62/h1-38H
InChIKeyPDOQFQJMBNTHCZ-UHFFFAOYSA-N
MW782.99 g/mol
LogP17.43
Rot. Bonds5

About 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene

19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene (PubChem CID 58309751) has the molecular formula C62H38 and a molecular weight of 782.99 g/mol. Its IUPAC name is 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene.

Molecular Properties

Compound Name19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
PubChem CID58309751
Molecular FormulaC62H38
Molecular Weight782.99 g/mol
Exact Mass782.30
IUPAC Name19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
SMILESc1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cc7ccccc7c7ccccc67)ccc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1
InChIInChI=1S/C62H38/c1-3-16-39(17-4-1)41-22-13-24-46(34-41)58-53-33-32-45(55-36-43-20-7-9-26-48(43)50-28-11-12-29-51(50)55)37-56(53)59(47-25-14-23-42(35-47)40-18-5-2-6-19-40)62-57-38-44-21-8-10-27-49(44)52-30-15-31-54(60(52)57)61(58)62/h1-38H
InChIKeyPDOQFQJMBNTHCZ-UHFFFAOYSA-N
XLogP17.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene with MolForge

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Related Compounds

19-naphthalen-1-yl-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309805
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
1-(15,22-diphenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaenyl)isoquinoline
CID 58309797
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
19-iodo-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 163500447
3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
CID 58323659
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576

Frequently Asked Questions

What is the IUPAC name of 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene?
The IUPAC name of 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene (CID 58309751) is 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene.
What is the SMILES notation for 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene?
The canonical SMILES for 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene is c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cc7ccccc7c7ccccc67)ccc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1.
What is the InChIKey of 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene?
The InChIKey is PDOQFQJMBNTHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38/c1-3-16-39(17-4-1)41-22-13-24-46(34-41)58-53-33-32-45(55-36-43-20-7-9-26-48(43)50-28-11-12-29-51(50)55)37-56(53)59(47-25-14-23-42(35-47)40-18-5-2-6-19-40)62-57-38-44-21-8-10-27-49(44)52-30-15-31-54(60(52)57)61(58)62/h1-38H.
What are the key properties of 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene?
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene has a molecular weight of 782.99 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene is sourced from PubChem (CID 58309751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).