6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline

C99H56N14 — CID 137458844

IUPAC6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc6cc(-c7ccc8c9ccc(-c%10ccc%11ccc%12c(-c%13ncnc(-c%14ccc%15c%16cc(-c%17ncncn%17)ccc%16c%16cc(-c%17ncncn%17)ccc%16c%15c%14)n%13)cccc%12c%11n%10)cc9c9ccccc9c8c7)c7cccnc7c6n5)cc4c4ccccc4c3c2)nc1-c1ccccn1
InChIInChI=1S/C99H56N14/c1-55-18-37-88(110-92(55)91-17-6-7-40-102-91)58-21-31-71-72-33-23-60(45-84(72)68-13-5-4-12-67(68)82(71)43-58)90-39-28-61-46-80(78-16-9-41-103-95(78)94(61)112-90)57-20-30-69-70-32-22-59(44-83(70)66-11-3-2-10-65(66)81(69)42-57)89-38-27-56-19-29-73-77(93(56)111-89)14-8-15-79(73)99-109-54-108-98(113-99)64-26-36-76-86-48-62(96-104-50-100-51-105-96)24-34-74(86)85-47-63(97-106-52-101-53-107-97)25-35-75(85)87(76)49-64/h2-54H,1H3
InChIKeyMLBNWYYQGUJAMV-UHFFFAOYSA-N
MW1441.63 g/mol
LogP23.52
Rot. Bonds9

About 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline

6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline (PubChem CID 137458844) has the molecular formula C99H56N14 and a molecular weight of 1441.63 g/mol. Its IUPAC name is 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline
PubChem CID137458844
Molecular FormulaC99H56N14
Molecular Weight1441.63 g/mol
Exact Mass1440.48
IUPAC Name6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc6cc(-c7ccc8c9ccc(-c%10ccc%11ccc%12c(-c%13ncnc(-c%14ccc%15c%16cc(-c%17ncncn%17)ccc%16c%16cc(-c%17ncncn%17)ccc%16c%15c%14)n%13)cccc%12c%11n%10)cc9c9ccccc9c8c7)c7cccnc7c6n5)cc4c4ccccc4c3c2)nc1-c1ccccn1
InChIInChI=1S/C99H56N14/c1-55-18-37-88(110-92(55)91-17-6-7-40-102-91)58-21-31-71-72-33-23-60(45-84(72)68-13-5-4-12-67(68)82(71)43-58)90-39-28-61-46-80(78-16-9-41-103-95(78)94(61)112-90)57-20-30-69-70-32-22-59(44-83(70)66-11-3-2-10-65(66)81(69)42-57)89-38-27-56-19-29-73-77(93(56)111-89)14-8-15-79(73)99-109-54-108-98(113-99)64-26-36-76-86-48-62(96-104-50-100-51-105-96)24-34-74(86)85-47-63(97-106-52-101-53-107-97)25-35-75(85)87(76)49-64/h2-54H,1H3
InChIKeyMLBNWYYQGUJAMV-UHFFFAOYSA-N
XLogP23.52
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.63
LogP ≤ 523.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline?
The IUPAC name of 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline (CID 137458844) is 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline?
The canonical SMILES for 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline is Cc1ccc(-c2ccc3c4ccc(-c5ccc6cc(-c7ccc8c9ccc(-c%10ccc%11ccc%12c(-c%13ncnc(-c%14ccc%15c%16cc(-c%17ncncn%17)ccc%16c%16cc(-c%17ncncn%17)ccc%16c%15c%14)n%13)cccc%12c%11n%10)cc9c9ccccc9c8c7)c7cccnc7c6n5)cc4c4ccccc4c3c2)nc1-c1ccccn1.
What is the InChIKey of 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline?
The InChIKey is MLBNWYYQGUJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H56N14/c1-55-18-37-88(110-92(55)91-17-6-7-40-102-91)58-21-31-71-72-33-23-60(45-84(72)68-13-5-4-12-67(68)82(71)43-58)90-39-28-61-46-80(78-16-9-41-103-95(78)94(61)112-90)57-20-30-69-70-32-22-59(44-83(70)66-11-3-2-10-65(66)81(69)42-57)89-38-27-56-19-29-73-77(93(56)111-89)14-8-15-79(73)99-109-54-108-98(113-99)64-26-36-76-86-48-62(96-104-50-100-51-105-96)24-34-74(86)85-47-63(97-106-52-101-53-107-97)25-35-75(85)87(76)49-64/h2-54H,1H3.
What are the key properties of 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline?
6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline has a molecular weight of 1441.63 g/mol, XLogP of 23.52, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[7-[4-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]benzo[h]quinolin-2-yl]triphenylen-2-yl]-2-[7-(5-methyl-6-pyridin-2-yl-2-pyridinyl)triphenylen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 137458844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).