2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C180H111N9O3 — CID 160916679

IUPAC2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cc(-c6cc7ccccc7c7ccccc67)ccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6ccc7ccc8ccccc8c7c6)ccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc(-c6ccc7ccc8ccccc8c7c6)cc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1
InChIInChI=1S/3C60H37N3O/c1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)48-23-14-26-52-56(48)47-34-33-44(43-32-31-40-30-29-39-17-7-8-22-46(39)49(40)36-43)37-53(47)60(52)50-24-9-11-27-54(50)64-55-28-12-10-25-51(55)60;1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)47-23-14-26-53-56(47)49-37-44(43-32-31-40-30-29-39-17-7-8-22-46(39)48(40)36-43)33-34-50(49)60(53)51-24-9-11-27-54(51)64-55-28-12-10-25-52(55)60;1-3-15-38(16-4-1)39-27-29-41(30-28-39)58-61-57(40-17-5-2-6-18-40)62-59(63-58)44-32-34-52-50(37-44)49-36-43(48-35-42-19-7-8-20-45(42)46-21-9-10-22-47(46)48)31-33-51(49)60(52)53-23-11-13-25-55(53)64-56-26-14-12-24-54(56)60/h3*1-37H
InChIKeySRMKVPPVQNDCNZ-UHFFFAOYSA-N
MW2447.93 g/mol
LogP44.95
Rot. Bonds15

About 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 160916679) has the molecular formula C180H111N9O3 and a molecular weight of 2447.93 g/mol. Its IUPAC name is 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID160916679
Molecular FormulaC180H111N9O3
Molecular Weight2447.93 g/mol
Exact Mass2445.88
IUPAC Name2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cc(-c6cc7ccccc7c7ccccc67)ccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6ccc7ccc8ccccc8c7c6)ccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc(-c6ccc7ccc8ccccc8c7c6)cc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1
InChIInChI=1S/3C60H37N3O/c1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)48-23-14-26-52-56(48)47-34-33-44(43-32-31-40-30-29-39-17-7-8-22-46(39)49(40)36-43)37-53(47)60(52)50-24-9-11-27-54(50)64-55-28-12-10-25-51(55)60;1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)47-23-14-26-53-56(47)49-37-44(43-32-31-40-30-29-39-17-7-8-22-46(39)48(40)36-43)33-34-50(49)60(53)51-24-9-11-27-54(51)64-55-28-12-10-25-52(55)60;1-3-15-38(16-4-1)39-27-29-41(30-28-39)58-61-57(40-17-5-2-6-18-40)62-59(63-58)44-32-34-52-50(37-44)49-36-43(48-35-42-19-7-8-20-45(42)46-21-9-10-22-47(46)48)31-33-51(49)60(52)53-23-11-13-25-55(53)64-56-26-14-12-24-54(56)60/h3*1-37H
InChIKeySRMKVPPVQNDCNZ-UHFFFAOYSA-N
XLogP44.95
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002447.93
LogP ≤ 544.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 155476648
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 147172045
2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 146343035
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 161372261
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-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
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-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 159639452
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 160916679) is 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cc(-c6cc7ccccc7c7ccccc67)ccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6ccc7ccc8ccccc8c7c6)ccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc(-c6ccc7ccc8ccccc8c7c6)cc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.
What is the InChIKey of 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is SRMKVPPVQNDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H37N3O/c1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)48-23-14-26-52-56(48)47-34-33-44(43-32-31-40-30-29-39-17-7-8-22-46(39)49(40)36-43)37-53(47)60(52)50-24-9-11-27-54(50)64-55-28-12-10-25-51(55)60;1-3-15-38(16-4-1)42-20-13-21-45(35-42)58-61-57(41-18-5-2-6-19-41)62-59(63-58)47-23-14-26-53-56(47)49-37-44(43-32-31-40-30-29-39-17-7-8-22-46(39)48(40)36-43)33-34-50(49)60(53)51-24-9-11-27-54(51)64-55-28-12-10-25-52(55)60;1-3-15-38(16-4-1)39-27-29-41(30-28-39)58-61-57(40-17-5-2-6-18-40)62-59(63-58)44-32-34-52-50(37-44)49-36-43(48-35-42-19-7-8-20-45(42)46-21-9-10-22-47(46)48)31-33-51(49)60(52)53-23-11-13-25-55(53)64-56-26-14-12-24-54(56)60/h3*1-37H.
What are the key properties of 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2447.93 g/mol, XLogP of 44.95, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160916679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).