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

C56H35N3 — CID 166898658

IUPAC2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)n2)cc1
InChIInChI=1S/C56H35N3/c1-4-16-37(17-5-1)50-35-51(38-18-6-2-7-19-38)59-55(58-50)40-30-28-36(29-31-40)41-32-33-49-45(34-41)53-52(54(57-49)39-20-8-3-9-21-39)44-24-12-15-27-48(44)56(53)46-25-13-10-22-42(46)43-23-11-14-26-47(43)56/h1-35H
InChIKeyOZKYSFUQXOBMQO-UHFFFAOYSA-N
MW749.92 g/mol
LogP13.70
Rot. Bonds5

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

2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 166898658) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID166898658
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)n2)cc1
InChIInChI=1S/C56H35N3/c1-4-16-37(17-5-1)50-35-51(38-18-6-2-7-19-38)59-55(58-50)40-30-28-36(29-31-40)41-32-33-49-45(34-41)53-52(54(57-49)39-20-8-3-9-21-39)44-24-12-15-27-48(44)56(53)46-25-13-10-22-42(46)43-23-11-14-26-47(43)56/h1-35H
InChIKeyOZKYSFUQXOBMQO-UHFFFAOYSA-N
XLogP13.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
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'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
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-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 162694250

Frequently Asked Questions

What is the IUPAC name of 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 166898658) is 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)n2)cc1.
What is the InChIKey of 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is OZKYSFUQXOBMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-4-16-37(17-5-1)50-35-51(38-18-6-2-7-19-38)59-55(58-50)40-30-28-36(29-31-40)41-32-33-49-45(34-41)53-52(54(57-49)39-20-8-3-9-21-39)44-24-12-15-27-48(44)56(53)46-25-13-10-22-42(46)43-23-11-14-26-47(43)56/h1-35H.
What are the key properties of 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] has a molecular weight of 749.92 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 166898658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).