4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C44H26N4 — CID 162484190

IUPAC4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)C43c4ccccc4-c4ccccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C44H26N4/c1-2-14-28(15-3-1)39-32-26-25-27-13-4-5-16-29(27)40(32)47-42(46-39)33-19-12-22-36-41(33)48-38-24-11-10-23-37(38)45-43(48)44(36)34-20-8-6-17-30(34)31-18-7-9-21-35(31)44/h1-26H
InChIKeyFFAXVRNDPKCDES-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.13
Rot. Bonds2

About 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 162484190) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID162484190
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)C43c4ccccc4-c4ccccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C44H26N4/c1-2-14-28(15-3-1)39-32-26-25-27-13-4-5-16-29(27)40(32)47-42(46-39)33-19-12-22-36-41(33)48-38-24-11-10-23-37(38)45-43(48)44(36)34-20-8-6-17-30(34)31-18-7-9-21-35(31)44/h1-26H
InChIKeyFFAXVRNDPKCDES-UHFFFAOYSA-N
XLogP10.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 155465892
4-(2,6-diphenylpyrimidin-4-yl)-11,11-diphenylindolo[1,2-a]benzimidazole
CID 162484029
6,6-dimethyl-5-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]indeno[2,1-b]indole
CID 144827727
6-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668224
8'-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606981
4-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylquinazoline
CID 137494166
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
4-phenanthren-2-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537139
2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 134304061
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 161413530

Frequently Asked Questions

What is the IUPAC name of 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 162484190) is 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)C43c4ccccc4-c4ccccc43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is FFAXVRNDPKCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-14-28(15-3-1)39-32-26-25-27-13-4-5-16-29(27)40(32)47-42(46-39)33-19-12-22-36-41(33)48-38-24-11-10-23-37(38)45-43(48)44(36)34-20-8-6-17-30(34)31-18-7-9-21-35(31)44/h1-26H.
What are the key properties of 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 610.72 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 162484190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).