2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine

C112H72N6 — CID 165150755

IUPAC2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1
InChIInChI=1S/C112H72N6/c1-7-27-73(28-8-1)105-113-107(117-109(115-105)83-33-25-31-77(65-83)81-57-61-91-89-43-21-23-47-99(89)111(101(91)69-81,85-35-11-3-12-36-85)86-37-13-4-14-38-86)75-53-49-71(50-54-75)79-59-63-95-97(67-79)103-93-45-19-20-46-94(93)104(95)98-68-80(60-64-96(98)103)72-51-55-76(56-52-72)108-114-106(74-29-9-2-10-30-74)116-110(118-108)84-34-26-32-78(66-84)82-58-62-92-90-44-22-24-48-100(90)112(102(92)70-82,87-39-15-5-16-40-87)88-41-17-6-18-42-88/h1-70,103-104H
InChIKeyXUGYKWVXSKDVBG-UHFFFAOYSA-N
MW1501.85 g/mol
LogP26.44
Rot. Bonds14

About 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 165150755) has the molecular formula C112H72N6 and a molecular weight of 1501.85 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID165150755
Molecular FormulaC112H72N6
Molecular Weight1501.85 g/mol
Exact Mass1500.58
IUPAC Name2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1
InChIInChI=1S/C112H72N6/c1-7-27-73(28-8-1)105-113-107(117-109(115-105)83-33-25-31-77(65-83)81-57-61-91-89-43-21-23-47-99(89)111(101(91)69-81,85-35-11-3-12-36-85)86-37-13-4-14-38-86)75-53-49-71(50-54-75)79-59-63-95-97(67-79)103-93-45-19-20-46-94(93)104(95)98-68-80(60-64-96(98)103)72-51-55-76(56-52-72)108-114-106(74-29-9-2-10-30-74)116-110(118-108)84-34-26-32-78(66-84)82-58-62-92-90-44-22-24-48-100(90)112(102(92)70-82,87-39-15-5-16-40-87)88-41-17-6-18-42-88/h1-70,103-104H
InChIKeyXUGYKWVXSKDVBG-UHFFFAOYSA-N
XLogP26.44
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.85
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[11-[6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151695
2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151481
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150876
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[11-[2-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150730
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 165150755) is 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is XUGYKWVXSKDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H72N6/c1-7-27-73(28-8-1)105-113-107(117-109(115-105)83-33-25-31-77(65-83)81-57-61-91-89-43-21-23-47-99(89)111(101(91)69-81,85-35-11-3-12-36-85)86-37-13-4-14-38-86)75-53-49-71(50-54-75)79-59-63-95-97(67-79)103-93-45-19-20-46-94(93)104(95)98-68-80(60-64-96(98)103)72-51-55-76(56-52-72)108-114-106(74-29-9-2-10-30-74)116-110(118-108)84-34-26-32-78(66-84)82-58-62-92-90-44-22-24-48-100(90)112(102(92)70-82,87-39-15-5-16-40-87)88-41-17-6-18-42-88/h1-70,103-104H.
What are the key properties of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1501.85 g/mol, XLogP of 26.44, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165150755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).