3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile

C98H56N8O2 — CID 146362166

IUPAC3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)Oc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(C#N)cc(-c7ccc8c(c7)Oc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11ccccc%10%11)n9)ccc7C87c8ccccc8-c8ccccc87)c6)c5)n4)ccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C98H56N8O2/c99-57-59-20-17-27-64(48-59)66-40-44-83-87(53-66)107-89-55-69(42-46-85(89)97(83)79-36-13-9-31-74(79)75-32-10-14-37-80(75)97)94-102-91(62-22-3-1-4-23-62)101-93(104-94)68-29-18-28-65(51-68)71-49-60(58-100)50-72(52-71)67-41-45-84-88(54-67)108-90-56-70(43-47-86(90)98(84)81-38-15-11-33-76(81)77-34-12-16-39-82(77)98)95-103-92(63-24-5-2-6-25-63)105-96(106-95)78-35-19-26-61-21-7-8-30-73(61)78/h1-56H
InChIKeyCHEKBZRVZPGYOX-UHFFFAOYSA-N
MW1377.58 g/mol
LogP22.89
Rot. Bonds9

About 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile

3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile (PubChem CID 146362166) has the molecular formula C98H56N8O2 and a molecular weight of 1377.58 g/mol. Its IUPAC name is 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
PubChem CID146362166
Molecular FormulaC98H56N8O2
Molecular Weight1377.58 g/mol
Exact Mass1376.45
IUPAC Name3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)Oc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(C#N)cc(-c7ccc8c(c7)Oc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11ccccc%10%11)n9)ccc7C87c8ccccc8-c8ccccc87)c6)c5)n4)ccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C98H56N8O2/c99-57-59-20-17-27-64(48-59)66-40-44-83-87(53-66)107-89-55-69(42-46-85(89)97(83)79-36-13-9-31-74(79)75-32-10-14-37-80(75)97)94-102-91(62-22-3-1-4-23-62)101-93(104-94)68-29-18-28-65(51-68)71-49-60(58-100)50-72(52-71)67-41-45-84-88(54-67)108-90-56-70(43-47-86(90)98(84)81-38-15-11-33-76(81)77-34-12-16-39-82(77)98)95-103-92(63-24-5-2-6-25-63)105-96(106-95)78-35-19-26-61-21-7-8-30-73(61)78/h1-56H
InChIKeyCHEKBZRVZPGYOX-UHFFFAOYSA-N
XLogP22.89
TPSA143.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.58
LogP ≤ 522.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile with MolForge

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Related Compounds

5-[4-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzene-1,3-dicarbonitrile
CID 146362516
3-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 158006206
3-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile
CID 146362387
6'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile;6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile;6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile;4-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]naphthalene-1-carbonitrile;6'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 161402624
6'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 146362571
3-[4-[4-[3-[3'-(3-phenylquinoxalin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163928419
4-[2'-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 166738009
2-naphthalen-1-yl-4-phenyl-6-spiro[hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene-23,9'-xanthene]-3'-yl-1,3,5-triazine
CID 163697005
4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 171405748
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031208

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile?
The IUPAC name of 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile (CID 146362166) is 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile.
What is the SMILES notation for 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile?
The canonical SMILES for 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(c2)Oc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(C#N)cc(-c7ccc8c(c7)Oc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11ccccc%10%11)n9)ccc7C87c8ccccc8-c8ccccc87)c6)c5)n4)ccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile?
The InChIKey is CHEKBZRVZPGYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N8O2/c99-57-59-20-17-27-64(48-59)66-40-44-83-87(53-66)107-89-55-69(42-46-85(89)97(83)79-36-13-9-31-74(79)75-32-10-14-37-80(75)97)94-102-91(62-22-3-1-4-23-62)101-93(104-94)68-29-18-28-65(51-68)71-49-60(58-100)50-72(52-71)67-41-45-84-88(54-67)108-90-56-70(43-47-86(90)98(84)81-38-15-11-33-76(81)77-34-12-16-39-82(77)98)95-103-92(63-24-5-2-6-25-63)105-96(106-95)78-35-19-26-61-21-7-8-30-73(61)78/h1-56H.
What are the key properties of 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile?
3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile has a molecular weight of 1377.58 g/mol, XLogP of 22.89, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile is sourced from PubChem (CID 146362166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).