5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]

C42H25N3 — CID 168855192

IUPAC5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
SMILESc1ccc(-c2nc(-c3nc4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3n2)cc1
InChIInChI=1S/C42H25N3/c1-2-14-26(15-3-1)41-43-36-25-13-9-21-32(36)40(45-41)39-30-19-5-4-18-29(30)37-38(44-39)31-20-8-12-24-35(31)42(37)33-22-10-6-16-27(33)28-17-7-11-23-34(28)42/h1-25H
InChIKeyVSAPVRAZACWMHH-UHFFFAOYSA-N
MW571.68 g/mol
LogP9.86
Rot. Bonds2

About 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]

5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline] (PubChem CID 168855192) has the molecular formula C42H25N3 and a molecular weight of 571.68 g/mol. Its IUPAC name is 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline].

Molecular Properties

Compound Name5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
PubChem CID168855192
Molecular FormulaC42H25N3
Molecular Weight571.68 g/mol
Exact Mass571.20
IUPAC Name5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
SMILESc1ccc(-c2nc(-c3nc4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3n2)cc1
InChIInChI=1S/C42H25N3/c1-2-14-26(15-3-1)41-43-36-25-13-9-21-32(36)40(45-41)39-30-19-5-4-18-29(30)37-38(44-39)31-20-8-12-24-35(31)42(37)33-22-10-6-16-27(33)28-17-7-11-23-34(28)42/h1-25H
InChIKeyVSAPVRAZACWMHH-UHFFFAOYSA-N
XLogP9.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5'-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855300
5'-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855115
5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
CID 168854982
5'-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855083
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794

Frequently Asked Questions

What is the IUPAC name of 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]?
The IUPAC name of 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline] (CID 168855192) is 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline].
What is the SMILES notation for 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]?
The canonical SMILES for 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline] is c1ccc(-c2nc(-c3nc4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3n2)cc1.
What is the InChIKey of 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]?
The InChIKey is VSAPVRAZACWMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3/c1-2-14-26(15-3-1)41-43-36-25-13-9-21-32(36)40(45-41)39-30-19-5-4-18-29(30)37-38(44-39)31-20-8-12-24-35(31)42(37)33-22-10-6-16-27(33)28-17-7-11-23-34(28)42/h1-25H.
What are the key properties of 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]?
5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline] has a molecular weight of 571.68 g/mol, XLogP of 9.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline] is sourced from PubChem (CID 168855192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).