4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile

C171H104N12 — CID 160984017

IUPAC4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)n2)cc1
InChIInChI=1S/2C59H36N4.C53H32N4/c60-37-38-26-28-43(29-27-38)57-61-56(42-16-5-2-6-17-42)62-58(63-57)45-19-13-18-44(34-45)39-30-32-41(33-31-39)50-36-55-51(35-49(50)40-14-3-1-4-15-40)48-22-9-12-25-54(48)59(55)52-23-10-7-20-46(52)47-21-8-11-24-53(47)59;60-37-38-23-25-44(26-24-38)57-61-56(43-15-5-2-6-16-43)62-58(63-57)45-33-29-40(30-34-45)39-27-31-42(32-28-39)50-36-55-51(35-49(50)41-13-3-1-4-14-41)48-19-9-12-22-54(48)59(55)52-20-10-7-17-46(52)47-18-8-11-21-53(47)59;54-33-34-23-25-38(26-24-34)51-55-50(37-15-5-2-6-16-37)56-52(57-51)39-29-27-36(28-30-39)44-32-49-45(31-43(44)35-13-3-1-4-14-35)42-19-9-12-22-48(42)53(49)46-20-10-7-17-40(46)41-18-8-11-21-47(41)53/h2*1-36H;1-32H
InChIKeySZWOMUMPCOHIGD-UHFFFAOYSA-N
MW2326.80 g/mol
LogP40.60
Rot. Bonds17

About 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile

4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 160984017) has the molecular formula C171H104N12 and a molecular weight of 2326.80 g/mol. Its IUPAC name is 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
PubChem CID160984017
Molecular FormulaC171H104N12
Molecular Weight2326.80 g/mol
Exact Mass2324.85
IUPAC Name4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)n2)cc1
InChIInChI=1S/2C59H36N4.C53H32N4/c60-37-38-26-28-43(29-27-38)57-61-56(42-16-5-2-6-17-42)62-58(63-57)45-19-13-18-44(34-45)39-30-32-41(33-31-39)50-36-55-51(35-49(50)40-14-3-1-4-15-40)48-22-9-12-25-54(48)59(55)52-23-10-7-20-46(52)47-21-8-11-24-53(47)59;60-37-38-23-25-44(26-24-38)57-61-56(43-15-5-2-6-16-43)62-58(63-57)45-33-29-40(30-34-45)39-27-31-42(32-28-39)50-36-55-51(35-49(50)41-13-3-1-4-14-41)48-19-9-12-22-54(48)59(55)52-20-10-7-17-46(52)47-18-8-11-21-53(47)59;54-33-34-23-25-38(26-24-34)51-55-50(37-15-5-2-6-16-37)56-52(57-51)39-29-27-36(28-30-39)44-32-49-45(31-43(44)35-13-3-1-4-14-35)42-19-9-12-22-48(42)53(49)46-20-10-7-17-40(46)41-18-8-11-21-47(41)53/h2*1-36H;1-32H
InChIKeySZWOMUMPCOHIGD-UHFFFAOYSA-N
XLogP40.60
TPSA187.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.80
LogP ≤ 540.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

4-[9,9-diphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]fluoren-2-yl]benzonitrile;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile
CID 159116328
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile
CID 146367825
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
4-[4-(4-phenylphenyl)-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-triazin-2-yl]benzonitrile
CID 130261181
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 139476228
4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 146362550
4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 171405748
2,4-diphenyl-6-[3-[4-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 139400593
4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile
CID 146362742
2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 159302076
6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-carbonitrile
CID 162776189

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile (CID 160984017) is 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)n2)cc1.
What is the InChIKey of 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is SZWOMUMPCOHIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H36N4.C53H32N4/c60-37-38-26-28-43(29-27-38)57-61-56(42-16-5-2-6-17-42)62-58(63-57)45-19-13-18-44(34-45)39-30-32-41(33-31-39)50-36-55-51(35-49(50)40-14-3-1-4-15-40)48-22-9-12-25-54(48)59(55)52-23-10-7-20-46(52)47-21-8-11-24-53(47)59;60-37-38-23-25-44(26-24-38)57-61-56(43-15-5-2-6-16-43)62-58(63-57)45-33-29-40(30-34-45)39-27-31-42(32-28-39)50-36-55-51(35-49(50)41-13-3-1-4-14-41)48-19-9-12-22-54(48)59(55)52-20-10-7-17-46(52)47-18-8-11-21-53(47)59;54-33-34-23-25-38(26-24-34)51-55-50(37-15-5-2-6-16-37)56-52(57-51)39-29-27-36(28-30-39)44-32-49-45(31-43(44)35-13-3-1-4-14-35)42-19-9-12-22-48(42)53(49)46-20-10-7-17-40(46)41-18-8-11-21-47(41)53/h2*1-36H;1-32H.
What are the key properties of 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 2326.80 g/mol, XLogP of 40.60, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 160984017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).