6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline

C49H32N4 — CID 142453484

IUPAC6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc(-c4ccc5cnccc5c4)c32)cc1
InChIInChI=1S/C49H32N4/c1-3-13-37(14-4-1)49(38-15-5-2-6-16-38)42-18-8-7-17-41(42)47-39(23-24-40(48(47)49)34-21-22-35-32-50-28-25-33(35)29-34)36-30-45(43-19-9-11-26-51-43)53-46(31-36)44-20-10-12-27-52-44/h1-32H
InChIKeyNFQFSMGCDKRBHH-UHFFFAOYSA-N
MW676.82 g/mol
LogP11.45
Rot. Bonds6

About 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline

6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline (PubChem CID 142453484) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline.

Molecular Properties

Compound Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline
PubChem CID142453484
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc(-c4ccc5cnccc5c4)c32)cc1
InChIInChI=1S/C49H32N4/c1-3-13-37(14-4-1)49(38-15-5-2-6-16-38)42-18-8-7-17-41(42)47-39(23-24-40(48(47)49)34-21-22-35-32-50-28-25-33(35)29-34)36-30-45(43-19-9-11-26-51-43)53-46(31-36)44-20-10-12-27-52-44/h1-32H
InChIKeyNFQFSMGCDKRBHH-UHFFFAOYSA-N
XLogP11.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 129302303
7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline
CID 129302458
4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
CID 142453592
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453560
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-2,6-dipyridin-2-ylpyridine
CID 138573850
7-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]quinoline
CID 162102025
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
CID 166685227
7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407539
2-[4-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164793158

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline?
The IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline (CID 142453484) is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline.
What is the SMILES notation for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline?
The canonical SMILES for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc(-c4ccc5cnccc5c4)c32)cc1.
What is the InChIKey of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline?
The InChIKey is NFQFSMGCDKRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-13-37(14-4-1)49(38-15-5-2-6-16-38)42-18-8-7-17-41(42)47-39(23-24-40(48(47)49)34-21-22-35-32-50-28-25-33(35)29-34)36-30-45(43-19-9-11-26-51-43)53-46(31-36)44-20-10-12-27-52-44/h1-32H.
What are the key properties of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline?
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline has a molecular weight of 676.82 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline is sourced from PubChem (CID 142453484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).