4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline

C55H36N4 — CID 166868488

IUPAC4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
SMILESNc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)cc4)n3)c2)cc1
InChIInChI=1S/C55H36N4/c56-44-31-29-35(30-32-44)42-21-10-22-43(33-42)55-58-53(40-17-8-3-9-18-40)57-54(59-55)41-27-25-37(26-28-41)47-34-48(36-13-4-1-5-14-36)51-45-23-11-19-38-20-12-24-46(49(38)45)52(51)50(47)39-15-6-2-7-16-39/h1-34H,56H2
InChIKeyONDAVUWFRFUXMN-UHFFFAOYSA-N
MW752.92 g/mol
LogP13.92
Rot. Bonds7

About 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline

4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline (PubChem CID 166868488) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
PubChem CID166868488
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
SMILESNc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)cc4)n3)c2)cc1
InChIInChI=1S/C55H36N4/c56-44-31-29-35(30-32-44)42-21-10-22-43(33-42)55-58-53(40-17-8-3-9-18-40)57-54(59-55)41-27-25-37(26-28-41)47-34-48(36-13-4-1-5-14-36)51-45-23-11-19-38-20-12-24-46(49(38)45)52(51)50(47)39-15-6-2-7-16-39/h1-34H,56H2
InChIKeyONDAVUWFRFUXMN-UHFFFAOYSA-N
XLogP13.92
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenylpyrimidin-4-yl]aniline
CID 166868436
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160870715
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
CID 166868480
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012434
2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171730885

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline?
The IUPAC name of 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline (CID 166868488) is 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline?
The canonical SMILES for 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline is Nc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)cc4)n3)c2)cc1.
What is the InChIKey of 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline?
The InChIKey is ONDAVUWFRFUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c56-44-31-29-35(30-32-44)42-21-10-22-43(33-42)55-58-53(40-17-8-3-9-18-40)57-54(59-55)41-27-25-37(26-28-41)47-34-48(36-13-4-1-5-14-36)51-45-23-11-19-38-20-12-24-46(49(38)45)52(51)50(47)39-15-6-2-7-16-39/h1-34H,56H2.
What are the key properties of 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline?
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline has a molecular weight of 752.92 g/mol, XLogP of 13.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline is sourced from PubChem (CID 166868488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).