19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

C56H32 — CID 58454238

IUPAC19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5c(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4c4cccc-3c24)cc1
InChIInChI=1S/C56H32/c1-3-14-34(15-4-1)52-41-22-9-10-23-42(41)53(35-16-5-2-6-17-35)56-50-32-48-38-21-8-7-20-37(38)46(31-49(48)44-26-13-27-45(54(44)50)55(52)56)36-28-29-39-40-24-11-18-33-19-12-25-43(51(33)40)47(39)30-36/h1-32H
InChIKeyOCLGIZOKXJYIJZ-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.75
Rot. Bonds3

About 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (PubChem CID 58454238) has the molecular formula C56H32 and a molecular weight of 704.87 g/mol. Its IUPAC name is 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

Compound Name19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
PubChem CID58454238
Molecular FormulaC56H32
Molecular Weight704.87 g/mol
Exact Mass704.25
IUPAC Name19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5c(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4c4cccc-3c24)cc1
InChIInChI=1S/C56H32/c1-3-14-34(15-4-1)52-41-22-9-10-23-42(41)53(35-16-5-2-6-17-35)56-50-32-48-38-21-8-7-20-37(38)46(31-49(48)44-26-13-27-45(54(44)50)55(52)56)36-28-29-39-40-24-11-18-33-19-12-25-43(51(33)40)47(39)30-36/h1-32H
InChIKeyOCLGIZOKXJYIJZ-UHFFFAOYSA-N
XLogP15.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene with MolForge

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Related Compounds

7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
18-perylen-3-yl-3,10-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16(21),17,19,22(26),23-tridecaene
CID 145350875
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
3-(1-methylfluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58390229
7,12-bis(3,5-ditert-butylphenyl)-3-fluoranthen-8-ylbenzo[k]fluoranthene
CID 58390239
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
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
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
7-(2,6-dimethylphenyl)-19-fluoranthen-3-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454174
3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene
CID 158593797
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907

Frequently Asked Questions

What is the IUPAC name of 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The IUPAC name of 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (CID 58454238) is 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.
What is the SMILES notation for 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The canonical SMILES for 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5c(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4c4cccc-3c24)cc1.
What is the InChIKey of 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The InChIKey is OCLGIZOKXJYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32/c1-3-14-34(15-4-1)52-41-22-9-10-23-42(41)53(35-16-5-2-6-17-35)56-50-32-48-38-21-8-7-20-37(38)46(31-49(48)44-26-13-27-45(54(44)50)55(52)56)36-28-29-39-40-24-11-18-33-19-12-25-43(51(33)40)47(39)30-36/h1-32H.
What are the key properties of 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene has a molecular weight of 704.87 g/mol, XLogP of 15.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 58454238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).