2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C61H37N3 — CID 168756351

IUPAC2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C61H37N3/c1-2-15-41(16-3-1)59-62-60(64-61(63-59)56-37-42-17-5-6-20-45(42)49-22-8-11-25-52(49)56)44-19-12-18-43(36-44)57-47-21-7-4-14-38(47)32-33-48(57)40-30-28-39(29-31-40)46-34-35-55-51-24-10-9-23-50(51)54-27-13-26-53(46)58(54)55/h1-37H
InChIKeyPHSXVIICFKMFPE-UHFFFAOYSA-N
MW811.99 g/mol
LogP16.13
Rot. Bonds6

About 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 168756351) has the molecular formula C61H37N3 and a molecular weight of 811.99 g/mol. Its IUPAC name is 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
PubChem CID168756351
Molecular FormulaC61H37N3
Molecular Weight811.99 g/mol
Exact Mass811.30
IUPAC Name2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C61H37N3/c1-2-15-41(16-3-1)59-62-60(64-61(63-59)56-37-42-17-5-6-20-45(42)49-22-8-11-25-52(49)56)44-19-12-18-43(36-44)57-47-21-7-4-14-38(47)32-33-48(57)40-30-28-39(29-31-40)46-34-35-55-51-24-10-9-23-50(51)54-27-13-26-53(46)58(54)55/h1-37H
InChIKeyPHSXVIICFKMFPE-UHFFFAOYSA-N
XLogP16.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.99
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
CID 168756347
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[3-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 168756537
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 166868486
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
2-(7-fluoranthen-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741022
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756531
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 168756351) is 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The InChIKey is PHSXVIICFKMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3/c1-2-15-41(16-3-1)59-62-60(64-61(63-59)56-37-42-17-5-6-20-45(42)49-22-8-11-25-52(49)56)44-19-12-18-43(36-44)57-47-21-7-4-14-38(47)32-33-48(57)40-30-28-39(29-31-40)46-34-35-55-51-24-10-9-23-50(51)54-27-13-26-53(46)58(54)55/h1-37H.
What are the key properties of 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 811.99 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168756351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).