2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C189H131N9 — CID 160518979

IUPAC2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc32)c2ccccc21
InChIInChI=1S/2C65H45N3.C59H41N3/c1-64(2)55-27-13-15-29-57(55)65(58-30-16-14-28-56(58)64)54-26-12-11-24-53(54)60-51(25-17-31-59(60)65)50-40-41-52(49-23-10-9-22-48(49)50)63-67-61(46-36-32-44(33-37-46)42-18-5-3-6-19-42)66-62(68-63)47-38-34-45(35-39-47)43-20-7-4-8-21-43;1-64(2)57-25-13-15-27-59(57)65(60-28-16-14-26-58(60)64)55-24-12-11-23-52(55)54-41-48(37-40-56(54)65)49-38-39-53(51-22-10-9-21-50(49)51)63-67-61(46-33-29-44(30-34-46)42-17-5-3-6-18-42)66-62(68-63)47-35-31-45(32-36-47)43-19-7-4-8-20-43;1-58(2)50-27-11-13-29-52(50)59(53-30-14-12-28-51(53)58)49-26-10-9-21-47(49)48-36-35-42(37-54(48)59)44-23-16-24-45-43(22-15-25-46(44)45)38-31-33-41(34-32-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h2*3-41H,1-2H3;3-37H,1-2H3
InChIKeyQUAFNYJHSQWQEY-UHFFFAOYSA-N
MW2528.19 g/mol
LogP46.42
Rot. Bonds17

About 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160518979) has the molecular formula C189H131N9 and a molecular weight of 2528.19 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160518979
Molecular FormulaC189H131N9
Molecular Weight2528.19 g/mol
Exact Mass2526.05
IUPAC Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc32)c2ccccc21
InChIInChI=1S/2C65H45N3.C59H41N3/c1-64(2)55-27-13-15-29-57(55)65(58-30-16-14-28-56(58)64)54-26-12-11-24-53(54)60-51(25-17-31-59(60)65)50-40-41-52(49-23-10-9-22-48(49)50)63-67-61(46-36-32-44(33-37-46)42-18-5-3-6-19-42)66-62(68-63)47-38-34-45(35-39-47)43-20-7-4-8-21-43;1-64(2)57-25-13-15-27-59(57)65(60-28-16-14-26-58(60)64)55-24-12-11-23-52(55)54-41-48(37-40-56(54)65)49-38-39-53(51-22-10-9-21-50(49)51)63-67-61(46-33-29-44(30-34-46)42-17-5-3-6-18-42)66-62(68-63)47-35-31-45(32-36-47)43-19-7-4-8-20-43;1-58(2)50-27-11-13-29-52(50)59(53-30-14-12-28-51(53)58)49-26-10-9-21-47(49)48-36-35-42(37-54(48)59)44-23-16-24-45-43(22-15-25-46(44)45)38-31-33-41(34-32-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h2*3-41H,1-2H3;3-37H,1-2H3
InChIKeyQUAFNYJHSQWQEY-UHFFFAOYSA-N
XLogP46.42
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002528.19
LogP ≤ 546.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158250945
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161349132
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158046858
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
CID 166995561
CID 166995561
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777603
2-(9,9-dimethyl-6'-phenanthren-9-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153293234
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 160518979) is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc32)c2ccccc21.
What is the InChIKey of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QUAFNYJHSQWQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H45N3.C59H41N3/c1-64(2)55-27-13-15-29-57(55)65(58-30-16-14-28-56(58)64)54-26-12-11-24-53(54)60-51(25-17-31-59(60)65)50-40-41-52(49-23-10-9-22-48(49)50)63-67-61(46-36-32-44(33-37-46)42-18-5-3-6-19-42)66-62(68-63)47-38-34-45(35-39-47)43-20-7-4-8-21-43;1-64(2)57-25-13-15-27-59(57)65(60-28-16-14-26-58(60)64)55-24-12-11-23-52(55)54-41-48(37-40-56(54)65)49-38-39-53(51-22-10-9-21-50(49)51)63-67-61(46-33-29-44(30-34-46)42-17-5-3-6-18-42)66-62(68-63)47-35-31-45(32-36-47)43-19-7-4-8-20-43;1-58(2)50-27-11-13-29-52(50)59(53-30-14-12-28-51(53)58)49-26-10-9-21-47(49)48-36-35-42(37-54(48)59)44-23-16-24-45-43(22-15-25-46(44)45)38-31-33-41(34-32-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h2*3-41H,1-2H3;3-37H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2528.19 g/mol, XLogP of 46.42, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160518979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).