2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C104H62N8 — CID 130271449

IUPAC2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cncc(-c5cccc(-c6nc(-c7ccc(-c8cccnc8)cc7)nc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)n6)c5)c4)c3)nc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1
InChIInChI=1S/C104H62N8/c1-6-25-64(26-7-1)89-77-40-16-18-42-79(77)91(66-29-10-3-11-30-66)97-87-54-52-83(81-44-22-46-85(93(81)87)95(89)97)103-109-99(68-33-14-5-15-34-68)107-101(111-103)72-37-20-35-70(57-72)75-59-76(62-106-61-75)71-36-21-38-73(58-71)102-108-100(69-50-48-63(49-51-69)74-39-24-56-105-60-74)110-104(112-102)84-53-55-88-94-82(84)45-23-47-86(94)96-90(65-27-8-2-9-28-65)78-41-17-19-43-80(78)92(98(88)96)67-31-12-4-13-32-67/h1-62H
InChIKeyGMXJQLIDYJGJFB-UHFFFAOYSA-N
MW1423.70 g/mol
LogP26.43
Rot. Bonds13

About 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 130271449) has the molecular formula C104H62N8 and a molecular weight of 1423.70 g/mol. Its IUPAC name is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID130271449
Molecular FormulaC104H62N8
Molecular Weight1423.70 g/mol
Exact Mass1422.51
IUPAC Name2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cncc(-c5cccc(-c6nc(-c7ccc(-c8cccnc8)cc7)nc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)n6)c5)c4)c3)nc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1
InChIInChI=1S/C104H62N8/c1-6-25-64(26-7-1)89-77-40-16-18-42-79(77)91(66-29-10-3-11-30-66)97-87-54-52-83(81-44-22-46-85(93(81)87)95(89)97)103-109-99(68-33-14-5-15-34-68)107-101(111-103)72-37-20-35-70(57-72)75-59-76(62-106-61-75)71-36-21-38-73(58-71)102-108-100(69-50-48-63(49-51-69)74-39-24-56-105-60-74)110-104(112-102)84-53-55-88-94-82(84)45-23-47-86(94)96-90(65-27-8-2-9-28-65)78-41-17-19-43-80(78)92(98(88)96)67-31-12-4-13-32-67/h1-62H
InChIKeyGMXJQLIDYJGJFB-UHFFFAOYSA-N
XLogP26.43
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.70
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 134194394
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
2,4-bis(4-phenylphenyl)-6-(10-phenyl-9-pyridin-3-ylphenanthren-2-yl)-1,3,5-triazine
CID 162392900
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
4-(3-phenylphenyl)-2-[3-[5-[3-phenyl-5-[6-pyren-1-yl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-3-pyridinyl]phenyl]-6-pyren-1-ylpyrimidine
CID 130271332
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 167595480
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459

Frequently Asked Questions

What is the IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 130271449) is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cncc(-c5cccc(-c6nc(-c7ccc(-c8cccnc8)cc7)nc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)n6)c5)c4)c3)nc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is GMXJQLIDYJGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H62N8/c1-6-25-64(26-7-1)89-77-40-16-18-42-79(77)91(66-29-10-3-11-30-66)97-87-54-52-83(81-44-22-46-85(93(81)87)95(89)97)103-109-99(68-33-14-5-15-34-68)107-101(111-103)72-37-20-35-70(57-72)75-59-76(62-106-61-75)71-36-21-38-73(58-71)102-108-100(69-50-48-63(49-51-69)74-39-24-56-105-60-74)110-104(112-102)84-53-55-88-94-82(84)45-23-47-86(94)96-90(65-27-8-2-9-28-65)78-41-17-19-43-80(78)92(98(88)96)67-31-12-4-13-32-67/h1-62H.
What are the key properties of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 1423.70 g/mol, XLogP of 26.43, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130271449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).