4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline

C49H28N2 — CID 166026093

IUPAC4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline
SMILESc1ccc(-c2nc(-c3c4c(cc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)-c3cccc5cccc-4c35)nc3ccccc23)cc1
InChIInChI=1S/C49H28N2/c1-2-14-30(15-3-1)47-35-21-7-11-27-42(35)50-48(51-47)46-44-36-23-13-17-29-16-12-22-33(43(29)36)37(44)28-41-45(46)34-20-6-10-26-40(34)49(41)38-24-8-4-18-31(38)32-19-5-9-25-39(32)49/h1-28H
InChIKeyBUADKEUBPCVTFX-UHFFFAOYSA-N
MW644.78 g/mol
LogP12.11
Rot. Bonds2

About 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline

4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline (PubChem CID 166026093) has the molecular formula C49H28N2 and a molecular weight of 644.78 g/mol. Its IUPAC name is 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline.

Molecular Properties

Compound Name4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline
PubChem CID166026093
Molecular FormulaC49H28N2
Molecular Weight644.78 g/mol
Exact Mass644.23
IUPAC Name4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline
SMILESc1ccc(-c2nc(-c3c4c(cc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)-c3cccc5cccc-4c35)nc3ccccc23)cc1
InChIInChI=1S/C49H28N2/c1-2-14-30(15-3-1)47-35-21-7-11-27-42(35)50-48(51-47)46-44-36-23-13-17-29-16-12-22-33(43(29)36)37(44)28-41-45(46)34-20-6-10-26-40(34)49(41)38-24-8-4-18-31(38)32-19-5-9-25-39(32)49/h1-28H
InChIKeyBUADKEUBPCVTFX-UHFFFAOYSA-N
XLogP12.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline with MolForge

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Related Compounds

2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
CID 166026039
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
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
4-phenanthren-2-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537139
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
4-(3,5-diphenylphenyl)-2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylquinazoline
CID 155186335
2-(3,5-dimethyl-4-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl)-1,3-benzothiazole
CID 166026047
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine
CID 166026078
8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline
CID 166026095
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline?
The IUPAC name of 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline (CID 166026093) is 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline.
What is the SMILES notation for 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline?
The canonical SMILES for 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline is c1ccc(-c2nc(-c3c4c(cc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)-c3cccc5cccc-4c35)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline?
The InChIKey is BUADKEUBPCVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2/c1-2-14-30(15-3-1)47-35-21-7-11-27-42(35)50-48(51-47)46-44-36-23-13-17-29-16-12-22-33(43(29)36)37(44)28-41-45(46)34-20-6-10-26-40(34)49(41)38-24-8-4-18-31(38)32-19-5-9-25-39(32)49/h1-28H.
What are the key properties of 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline?
4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline has a molecular weight of 644.78 g/mol, XLogP of 12.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline is sourced from PubChem (CID 166026093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).