4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene

C103H65N — CID 160809603

IUPAC4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-c2ccccc2-c2ccncc2)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1.c1ccc(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C42H26.C33H21N.C28H18/c1-2-16-34-31(10-1)25-40(37-19-5-3-17-35(34)37)30-14-8-12-28(23-30)27-11-7-13-29(22-27)33-24-32-15-9-21-39-36-18-4-6-20-38(36)41(26-33)42(32)39;1-2-11-28(27(10-1)22-15-17-34-18-16-22)24-8-5-7-23(19-24)26-20-25-9-6-14-31-29-12-3-4-13-30(29)32(21-26)33(25)31;1-2-8-19(9-3-1)20-10-6-11-21(16-20)23-17-22-12-7-15-26-24-13-4-5-14-25(24)27(18-23)28(22)26/h1-26H;1-21H;1-18H
InChIKeySEDIQCHXBTXECH-UHFFFAOYSA-N
MW1316.66 g/mol
LogP28.50
Rot. Bonds8

About 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene

4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene (PubChem CID 160809603) has the molecular formula C103H65N and a molecular weight of 1316.66 g/mol. Its IUPAC name is 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene.

Molecular Properties

Compound Name4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene
PubChem CID160809603
Molecular FormulaC103H65N
Molecular Weight1316.66 g/mol
Exact Mass1315.51
IUPAC Name4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-c2ccccc2-c2ccncc2)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1.c1ccc(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C42H26.C33H21N.C28H18/c1-2-16-34-31(10-1)25-40(37-19-5-3-17-35(34)37)30-14-8-12-28(23-30)27-11-7-13-29(22-27)33-24-32-15-9-21-39-36-18-4-6-20-38(36)41(26-33)42(32)39;1-2-11-28(27(10-1)22-15-17-34-18-16-22)24-8-5-7-23(19-24)26-20-25-9-6-14-31-29-12-3-4-13-30(29)32(21-26)33(25)31;1-2-8-19(9-3-1)20-10-6-11-21(16-20)23-17-22-12-7-15-26-24-13-4-5-14-25(24)27(18-23)28(22)26/h1-26H;1-21H;1-18H
InChIKeySEDIQCHXBTXECH-UHFFFAOYSA-N
XLogP28.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001316.66
LogP ≤ 528.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoranthen-2-ylphenyl)pyridine
CID 130295099
4-(6-fluoranthen-2-ylnaphthalen-2-yl)pyridine
CID 130295175
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 118014141
21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754
2-[2-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-(4-fluoranthen-2-ylphenyl)-5-phenylpyridine;4-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;5-(4-fluoranthen-2-ylphenyl)-2-phenylpyridine
CID 158843363
2,9-diphenylfluoranthene
CID 174565991
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314030

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene?
The IUPAC name of 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene (CID 160809603) is 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene.
What is the SMILES notation for 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene?
The canonical SMILES for 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene is c1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-c2ccccc2-c2ccncc2)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1.c1ccc(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)cc1.
What is the InChIKey of 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene?
The InChIKey is SEDIQCHXBTXECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.C33H21N.C28H18/c1-2-16-34-31(10-1)25-40(37-19-5-3-17-35(34)37)30-14-8-12-28(23-30)27-11-7-13-29(22-27)33-24-32-15-9-21-39-36-18-4-6-20-38(36)41(26-33)42(32)39;1-2-11-28(27(10-1)22-15-17-34-18-16-22)24-8-5-7-23(19-24)26-20-25-9-6-14-31-29-12-3-4-13-30(29)32(21-26)33(25)31;1-2-8-19(9-3-1)20-10-6-11-21(16-20)23-17-22-12-7-15-26-24-13-4-5-14-25(24)27(18-23)28(22)26/h1-26H;1-21H;1-18H.
What are the key properties of 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene?
4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene has a molecular weight of 1316.66 g/mol, XLogP of 28.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene is sourced from PubChem (CID 160809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).