4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

C67H42N2 — CID 130261377

IUPAC4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C1(c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C67H42N2/c1-3-19-50-43(15-1)17-13-26-52(50)45-31-35-47(36-32-45)64-42-65(48-37-33-46(34-38-48)53-27-14-18-44-16-2-4-20-51(44)53)69-66(68-64)49-39-40-63-59(41-49)55-22-6-5-21-54(55)56-23-7-10-28-60(56)67(63)61-29-11-8-24-57(61)58-25-9-12-30-62(58)67/h1-42H
InChIKeyLUYLLPPJYVNZFA-UHFFFAOYSA-N
MW875.09 g/mol
LogP17.13
Rot. Bonds5

About 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (PubChem CID 130261377) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
PubChem CID130261377
Molecular FormulaC67H42N2
Molecular Weight875.09 g/mol
Exact Mass874.33
IUPAC Name4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C1(c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C67H42N2/c1-3-19-50-43(15-1)17-13-26-52(50)45-31-35-47(36-32-45)64-42-65(48-37-33-46(34-38-48)53-27-14-18-44-16-2-4-20-51(44)53)69-66(68-64)49-39-40-63-59(41-49)55-22-6-5-21-54(55)56-23-7-10-28-60(56)67(63)61-29-11-8-24-57(61)58-25-9-12-30-62(58)67/h1-42H
InChIKeyLUYLLPPJYVNZFA-UHFFFAOYSA-N
XLogP17.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine with MolForge

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261219
4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-yl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261373
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218
2-(4-naphthalen-1-ylphenyl)-4-pyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261119
2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261371
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-(3,5-diphenylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287775
4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288092
4,6-bis(2-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288133
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
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
4,6-diphenyl-2-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyrimidine
CID 153357817

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The IUPAC name of 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (CID 130261377) is 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.
What is the SMILES notation for 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The canonical SMILES for 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is c1ccc2c(c1)-c1ccccc1C1(c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3-2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The InChIKey is LUYLLPPJYVNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-19-50-43(15-1)17-13-26-52(50)45-31-35-47(36-32-45)64-42-65(48-37-33-46(34-38-48)53-27-14-18-44-16-2-4-20-51(44)53)69-66(68-64)49-39-40-63-59(41-49)55-22-6-5-21-54(55)56-23-7-10-28-60(56)67(63)61-29-11-8-24-57(61)58-25-9-12-30-62(58)67/h1-42H.
What are the key properties of 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine has a molecular weight of 875.09 g/mol, XLogP of 17.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is sourced from PubChem (CID 130261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).