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

C50H31N3 — CID 166898676

IUPAC2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)n2)cc1
InChIInChI=1S/C50H31N3/c1-4-16-32(17-5-1)44-31-45(33-18-6-2-7-19-33)53-49(52-44)35-28-29-43-39(30-35)47-46(48(51-43)34-20-8-3-9-21-34)38-24-12-15-27-42(38)50(47)40-25-13-10-22-36(40)37-23-11-14-26-41(37)50/h1-31H
InChIKeyZPZJRLVLPWUBHT-UHFFFAOYSA-N
MW673.82 g/mol
LogP12.04
Rot. Bonds4

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

2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 166898676) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID166898676
Molecular FormulaC50H31N3
Molecular Weight673.82 g/mol
Exact Mass673.25
IUPAC Name2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)n2)cc1
InChIInChI=1S/C50H31N3/c1-4-16-32(17-5-1)44-31-45(33-18-6-2-7-19-33)53-49(52-44)35-28-29-43-39(30-35)47-46(48(51-43)34-20-8-3-9-21-34)38-24-12-15-27-42(38)50(47)40-25-13-10-22-36(40)37-23-11-14-26-41(37)50/h1-31H
InChIKeyZPZJRLVLPWUBHT-UHFFFAOYSA-N
XLogP12.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
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
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
CID 134451054
CID 134451054
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274

Frequently Asked Questions

What is the IUPAC name of 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 166898676) is 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)n2)cc1.
What is the InChIKey of 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is ZPZJRLVLPWUBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-4-16-32(17-5-1)44-31-45(33-18-6-2-7-19-33)53-49(52-44)35-28-29-43-39(30-35)47-46(48(51-43)34-20-8-3-9-21-34)38-24-12-15-27-42(38)50(47)40-25-13-10-22-36(40)37-23-11-14-26-41(37)50/h1-31H.
What are the key properties of 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] has a molecular weight of 673.82 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 166898676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).