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

C47H28N2 — CID 137494166

IUPAC4-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
SMILESc1ccc(-c2nc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C47H28N2/c1-2-15-30(16-3-1)45-36-22-10-13-25-42(36)48-46(49-45)37-28-41-44(35-21-7-6-18-32(35)37)43-31-17-5-4-14-29(31)26-27-40(43)47(41)38-23-11-8-19-33(38)34-20-9-12-24-39(34)47/h1-28H
InChIKeyYSYHTLODFFTSLM-UHFFFAOYSA-N
MW620.76 g/mol
LogP11.61
Rot. Bonds2

About 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

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 (PubChem CID 137494166) has the molecular formula C47H28N2 and a molecular weight of 620.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID137494166
Molecular FormulaC47H28N2
Molecular Weight620.76 g/mol
Exact Mass620.23
IUPAC Name4-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
SMILESc1ccc(-c2nc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C47H28N2/c1-2-15-30(16-3-1)45-36-22-10-13-25-42(36)48-46(49-45)37-28-41-44(35-21-7-6-18-32(35)37)43-31-17-5-4-14-29(31)26-27-40(43)47(41)38-23-11-8-19-33(38)34-20-9-12-24-39(34)47/h1-28H
InChIKeyYSYHTLODFFTSLM-UHFFFAOYSA-N
XLogP11.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

4-(3,5-diphenylphenyl)-2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylquinazoline
CID 155186335
4-phenanthren-2-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537139
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
2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
CID 155465448
4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
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
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
2-phenyl-1-(4-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'-ylphenyl)benzimidazole
CID 164938475
2-phenyl-4-(4-phenylphenyl)-6-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]-3-ylpyrimidine
CID 155186130
2-phenyl-7-[3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-7-yl]-4-(4-spiro[2-oxapentacyclo[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]-3'-ylphenyl)quinazoline
CID 139307599
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is YSYHTLODFFTSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2/c1-2-15-30(16-3-1)45-36-22-10-13-25-42(36)48-46(49-45)37-28-41-44(35-21-7-6-18-32(35)37)43-31-17-5-4-14-29(31)26-27-40(43)47(41)38-23-11-8-19-33(38)34-20-9-12-24-39(34)47/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 620.76 g/mol, XLogP of 11.61, 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-9,12'-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 is sourced from PubChem (CID 137494166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).