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

C56H35N3 — CID 168855290

IUPAC6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C56H35N3/c1-3-15-36(16-4-1)37-27-29-39(30-28-37)51-35-50(38-17-5-2-6-18-38)58-55(59-51)41-33-31-40(32-34-41)54-52-44-21-9-13-25-48(44)56(53(52)45-22-10-14-26-49(45)57-54)46-23-11-7-19-42(46)43-20-8-12-24-47(43)56/h1-35H
InChIKeyISZXPVOZNBNHOU-UHFFFAOYSA-N
MW749.92 g/mol
LogP13.70
Rot. Bonds5

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

6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 168855290) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID168855290
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C56H35N3/c1-3-15-36(16-4-1)37-27-29-39(30-28-37)51-35-50(38-17-5-2-6-18-38)58-55(59-51)41-33-31-40(32-34-41)54-52-44-21-9-13-25-48(44)56(53(52)45-22-10-14-26-49(45)57-54)46-23-11-7-19-42(46)43-20-8-12-24-47(43)56/h1-35H
InChIKeyISZXPVOZNBNHOU-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 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] with MolForge

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Related Compounds

6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
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'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898406
10,10-diphenyl-14-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-14-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159106365
21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenyl-20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124168
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074

Frequently Asked Questions

What is the IUPAC name of 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 168855290) is 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is ISZXPVOZNBNHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-3-15-36(16-4-1)37-27-29-39(30-28-37)51-35-50(38-17-5-2-6-18-38)58-55(59-51)41-33-31-40(32-34-41)54-52-44-21-9-13-25-48(44)56(53(52)45-22-10-14-26-49(45)57-54)46-23-11-7-19-42(46)43-20-8-12-24-47(43)56/h1-35H.
What are the key properties of 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[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 6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 168855290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).