4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine

C44H28N2 — CID 118028340

IUPAC4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C44H28N2/c1-3-9-31(10-4-1)39-28-40(36-26-34(29-17-21-45-22-18-29)25-35(27-36)30-19-23-46-24-20-30)42(33-11-5-2-6-12-33)44-38-16-8-14-32-13-7-15-37(41(32)38)43(39)44/h1-28H
InChIKeyRTQHYZIBVZFICR-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.61
Rot. Bonds5

About 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine

4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine (PubChem CID 118028340) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
PubChem CID118028340
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C44H28N2/c1-3-9-31(10-4-1)39-28-40(36-26-34(29-17-21-45-22-18-29)25-35(27-36)30-19-23-46-24-20-30)42(33-11-5-2-6-12-33)44-38-16-8-14-32-13-7-15-37(41(32)38)43(39)44/h1-28H
InChIKeyRTQHYZIBVZFICR-UHFFFAOYSA-N
XLogP11.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
CID 118028356
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
CID 166868480
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
CID 166868365
2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 118028353
7-(10-phenyl-9-pyridin-3-ylfluoranthen-7-yl)quinoline
CID 59318982
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
CID 86040255

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine (CID 118028340) is 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine is c1ccc(-c2cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine?
The InChIKey is RTQHYZIBVZFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-9-31(10-4-1)39-28-40(36-26-34(29-17-21-45-22-18-29)25-35(27-36)30-19-23-46-24-20-30)42(33-11-5-2-6-12-33)44-38-16-8-14-32-13-7-15-37(41(32)38)43(39)44/h1-28H.
What are the key properties of 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine?
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine has a molecular weight of 584.72 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 118028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).