6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]

C44H27N3 — CID 166898547

IUPAC6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3nc4ccccc4c4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H27N3/c1-3-15-28(16-4-1)38-27-39(47-43(46-38)29-17-5-2-6-18-29)42-40-32-21-9-13-25-36(32)44(41(40)33-22-10-14-26-37(33)45-42)34-23-11-7-19-30(34)31-20-8-12-24-35(31)44/h1-27H
InChIKeyMQDBUKDYXXTDGN-UHFFFAOYSA-N
MW597.72 g/mol
LogP10.37
Rot. Bonds3

About 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]

6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 166898547) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID166898547
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3nc4ccccc4c4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H27N3/c1-3-15-28(16-4-1)38-27-39(47-43(46-38)29-17-5-2-6-18-29)42-40-32-21-9-13-25-36(32)44(41(40)33-22-10-14-26-37(33)45-42)34-23-11-7-19-30(34)31-20-8-12-24-35(31)44/h1-27H
InChIKeyMQDBUKDYXXTDGN-UHFFFAOYSA-N
XLogP10.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] with MolForge

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Related Compounds

6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855233
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
4,6-diphenyl-2-[4-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]pyrimidine
CID 134487417
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898406

Frequently Asked Questions

What is the IUPAC name of 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 166898547) is 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2cc(-c3nc4ccccc4c4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is MQDBUKDYXXTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c1-3-15-28(16-4-1)38-27-39(47-43(46-38)29-17-5-2-6-18-29)42-40-32-21-9-13-25-36(32)44(41(40)33-22-10-14-26-37(33)45-42)34-23-11-7-19-30(34)31-20-8-12-24-35(31)44/h1-27H.
What are the key properties of 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] has a molecular weight of 597.72 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 166898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).