4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine

C201H128N6 — CID 158657443

IUPAC4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(cc5-c5ccc7ccccc7c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)c2)cc1
InChIInChI=1S/2C69H44N2.C63H40N2/c1-3-18-45(19-4-1)49-24-16-28-54(40-49)67-44-66(47-21-5-2-6-22-47)70-68(71-67)55-29-17-26-51(41-55)50-25-15-27-52(39-50)60-43-65-61(42-59(60)53-37-36-46-20-7-8-23-48(46)38-53)58-32-11-14-35-64(58)69(65)62-33-12-9-30-56(62)57-31-10-13-34-63(57)69;1-3-17-45(18-4-1)47-33-36-49(37-34-47)67-44-66(48-20-5-2-6-21-48)70-68(71-67)55-26-16-24-52(41-55)51-23-15-25-53(40-51)60-43-65-61(42-59(60)54-38-35-46-19-7-8-22-50(46)39-54)58-29-11-14-32-64(58)69(65)62-30-12-9-27-56(62)57-28-10-13-31-63(57)69;1-3-18-42(19-4-1)60-40-61(65-62(64-60)43-20-5-2-6-21-43)49-26-16-24-46(37-49)45-23-15-25-47(36-45)54-39-59-55(38-53(54)48-34-33-41-17-7-8-22-44(41)35-48)52-29-11-14-32-58(52)63(59)56-30-12-9-27-50(56)51-28-10-13-31-57(51)63/h2*1-44H;1-40H
InChIKeyICHXDSKTXFTHLV-UHFFFAOYSA-N
MW2627.28 g/mol
LogP51.26
Rot. Bonds20

About 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine

4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 158657443) has the molecular formula C201H128N6 and a molecular weight of 2627.28 g/mol. Its IUPAC name is 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID158657443
Molecular FormulaC201H128N6
Molecular Weight2627.28 g/mol
Exact Mass2625.02
IUPAC Name4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(cc5-c5ccc7ccccc7c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)c2)cc1
InChIInChI=1S/2C69H44N2.C63H40N2/c1-3-18-45(19-4-1)49-24-16-28-54(40-49)67-44-66(47-21-5-2-6-22-47)70-68(71-67)55-29-17-26-51(41-55)50-25-15-27-52(39-50)60-43-65-61(42-59(60)53-37-36-46-20-7-8-23-48(46)38-53)58-32-11-14-35-64(58)69(65)62-33-12-9-30-56(62)57-31-10-13-34-63(57)69;1-3-17-45(18-4-1)47-33-36-49(37-34-47)67-44-66(48-20-5-2-6-21-48)70-68(71-67)55-26-16-24-52(41-55)51-23-15-25-53(40-51)60-43-65-61(42-59(60)54-38-35-46-19-7-8-22-50(46)39-54)58-29-11-14-32-64(58)69(65)62-30-12-9-27-56(62)57-28-10-13-31-63(57)69;1-3-18-42(19-4-1)60-40-61(65-62(64-60)43-20-5-2-6-21-43)49-26-16-24-46(37-49)45-23-15-25-47(36-45)54-39-59-55(38-53(54)48-34-33-41-17-7-8-22-44(41)35-48)52-29-11-14-32-58(52)63(59)56-30-12-9-27-50(56)51-28-10-13-31-57(51)63/h2*1-44H;1-40H
InChIKeyICHXDSKTXFTHLV-UHFFFAOYSA-N
XLogP51.26
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002627.28
LogP ≤ 551.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[3-[4-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 139400593
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 160668603
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-6-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 153287870
4-(3,5-diphenylphenyl)-6-(3-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 153288013
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 158657443) is 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(cc5-c5ccc7ccccc7c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc8ccccc8c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)c2)cc1.
What is the InChIKey of 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ICHXDSKTXFTHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H44N2.C63H40N2/c1-3-18-45(19-4-1)49-24-16-28-54(40-49)67-44-66(47-21-5-2-6-22-47)70-68(71-67)55-29-17-26-51(41-55)50-25-15-27-52(39-50)60-43-65-61(42-59(60)53-37-36-46-20-7-8-23-48(46)38-53)58-32-11-14-35-64(58)69(65)62-33-12-9-30-56(62)57-31-10-13-34-63(57)69;1-3-17-45(18-4-1)47-33-36-49(37-34-47)67-44-66(48-20-5-2-6-21-48)70-68(71-67)55-26-16-24-52(41-55)51-23-15-25-53(40-51)60-43-65-61(42-59(60)54-38-35-46-19-7-8-22-50(46)39-54)58-29-11-14-32-64(58)69(65)62-30-12-9-27-56(62)57-28-10-13-31-63(57)69;1-3-18-42(19-4-1)60-40-61(65-62(64-60)43-20-5-2-6-21-43)49-26-16-24-46(37-49)45-23-15-25-47(36-45)54-39-59-55(38-53(54)48-34-33-41-17-7-8-22-44(41)35-48)52-29-11-14-32-58(52)63(59)56-30-12-9-27-50(56)51-28-10-13-31-57(51)63/h2*1-44H;1-40H.
What are the key properties of 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 2627.28 g/mol, XLogP of 51.26, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 158657443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).