4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine

C59H36N2 — CID 137494809

IUPAC4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C59H36N2/c1-2-14-41(15-3-1)58-60-54(36-55(61-58)45-27-24-37-12-4-5-16-42(37)35-45)40-25-22-38(23-26-40)43-28-31-47-44(34-43)29-32-50-56-46-17-7-6-13-39(46)30-33-53(56)59(57(47)50)51-20-10-8-18-48(51)49-19-9-11-21-52(49)59/h1-36H
InChIKeyQRWPCTPJBYXOST-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.95
Rot. Bonds4

About 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine

4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine (PubChem CID 137494809) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
PubChem CID137494809
Molecular FormulaC59H36N2
Molecular Weight772.95 g/mol
Exact Mass772.29
IUPAC Name4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C59H36N2/c1-2-14-41(15-3-1)58-60-54(36-55(61-58)45-27-24-37-12-4-5-16-42(37)35-45)40-25-22-38(23-26-40)43-28-31-47-44(34-43)29-32-50-56-46-17-7-6-13-39(46)30-33-53(56)59(57(47)50)51-20-10-8-18-48(51)49-19-9-11-21-52(49)59/h1-36H
InChIKeyQRWPCTPJBYXOST-UHFFFAOYSA-N
XLogP14.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[6'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14(19),15,17,20-decaene]-17'-yl]phenyl]pyrimidine
CID 137493411
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrimidine
CID 137494228
2,4-diphenyl-6-[4-[17'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]phenyl]pyrimidine
CID 137492982
2,4-diphenyl-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]-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-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-yl-1,3,5-triazine;4-(3-phenylphenyl)-6-(4-phenylphenyl)-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]-4-ylpyrimidine
CID 160636998
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
2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl-1,3,5-triazine
CID 160696257
4-phenanthren-2-yl-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 130355554
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine
CID 155186211
2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
CID 137493491
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine (CID 137494809) is 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine?
The InChIKey is QRWPCTPJBYXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-2-14-41(15-3-1)58-60-54(36-55(61-58)45-27-24-37-12-4-5-16-42(37)35-45)40-25-22-38(23-26-40)43-28-31-47-44(34-43)29-32-50-56-46-17-7-6-13-39(46)30-33-53(56)59(57(47)50)51-20-10-8-18-48(51)49-19-9-11-21-52(49)59/h1-36H.
What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine?
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine has a molecular weight of 772.95 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine is sourced from PubChem (CID 137494809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).