2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine

C57H38N2 — CID 122431228

IUPAC2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cc5c(c6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C57H38N2/c1-5-17-39(18-6-1)43-36-54(41-19-7-2-8-20-41)59-55(37-43)45-34-42(40-29-31-58-32-30-40)33-44(35-45)51-38-53-56(49-26-14-13-25-48(49)51)50-27-15-16-28-52(50)57(53,46-21-9-3-10-22-46)47-23-11-4-12-24-47/h1-38H
InChIKeyRBEBCYQDJCPPJR-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.33
Rot. Bonds7

About 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine

2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine (PubChem CID 122431228) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine
PubChem CID122431228
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cc5c(c6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C57H38N2/c1-5-17-39(18-6-1)43-36-54(41-19-7-2-8-20-41)59-55(37-43)45-34-42(40-29-31-58-32-30-40)33-44(35-45)51-38-53-56(49-26-14-13-25-48(49)51)50-27-15-16-28-52(50)57(53,46-21-9-3-10-22-46)47-23-11-4-12-24-47/h1-38H
InChIKeyRBEBCYQDJCPPJR-UHFFFAOYSA-N
XLogP14.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785729
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-(9,9-diphenylfluoren-2-yl)-4-[4-[5-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(4-phenylphenyl)-2-[4-[5-[4-[4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine;4-(4-phenylphenyl)-6-[4-[5-[4-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-2-pyridin-4-ylpyrimidine;4-phenyl-2-[4-[5-[4-(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 160546703
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine
CID 154597068
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
4-(5-chloro-7-phenylbenzo[c]fluoren-7-yl)pyridine
CID 153406376
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine (CID 122431228) is 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cc5c(c6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine?
The InChIKey is RBEBCYQDJCPPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-5-17-39(18-6-1)43-36-54(41-19-7-2-8-20-41)59-55(37-43)45-34-42(40-29-31-58-32-30-40)33-44(35-45)51-38-53-56(49-26-14-13-25-48(49)51)50-27-15-16-28-52(50)57(53,46-21-9-3-10-22-46)47-23-11-4-12-24-47/h1-38H.
What are the key properties of 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine?
2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine has a molecular weight of 750.95 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 122431228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).