6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine

C42H34N4O — CID 126614523

IUPAC6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
SMILESNc1ccc2ccc3ccc(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)c4)cc3c2c1OCc1ccccc1
InChIInChI=1S/C42H34N4O/c43-37-24-23-30-21-19-29-20-22-34(26-36(29)38(30)39(37)47-27-28-11-4-1-5-12-28)33-17-10-18-35(25-33)42-45-40(31-13-6-2-7-14-31)44-41(46-42)32-15-8-3-9-16-32/h1-26,40,42,45H,27,43H2,(H,44,46)
InChIKeyRACXRJWRIFNDQO-UHFFFAOYSA-N
MW610.76 g/mol
LogP9.16
Rot. Bonds7

About 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine

6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine (PubChem CID 126614523) has the molecular formula C42H34N4O and a molecular weight of 610.76 g/mol. Its IUPAC name is 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine.

Molecular Properties

Compound Name6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
PubChem CID126614523
Molecular FormulaC42H34N4O
Molecular Weight610.76 g/mol
Exact Mass610.27
IUPAC Name6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
SMILESNc1ccc2ccc3ccc(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)c4)cc3c2c1OCc1ccccc1
InChIInChI=1S/C42H34N4O/c43-37-24-23-30-21-19-29-20-22-34(26-36(29)38(30)39(37)47-27-28-11-4-1-5-12-28)33-17-10-18-35(25-33)42-45-40(31-13-6-2-7-14-31)44-41(46-42)32-15-8-3-9-16-32/h1-26,40,42,45H,27,43H2,(H,44,46)
InChIKeyRACXRJWRIFNDQO-UHFFFAOYSA-N
XLogP9.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 59.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
4,6-diphenyl-2-[3-[1-(4-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145415056
4-[4-[5-[6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-1-N-phenylbenzene-1,2-diamine
CID 129228125
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
23-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155772863
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
CID 129099185
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665
1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine
CID 170048478
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine?
The IUPAC name of 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine (CID 126614523) is 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine.
What is the SMILES notation for 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine?
The canonical SMILES for 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine is Nc1ccc2ccc3ccc(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)c4)cc3c2c1OCc1ccccc1.
What is the InChIKey of 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine?
The InChIKey is RACXRJWRIFNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4O/c43-37-24-23-30-21-19-29-20-22-34(26-36(29)38(30)39(37)47-27-28-11-4-1-5-12-28)33-17-10-18-35(25-33)42-45-40(31-13-6-2-7-14-31)44-41(46-42)32-15-8-3-9-16-32/h1-26,40,42,45H,27,43H2,(H,44,46).
What are the key properties of 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine?
6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine has a molecular weight of 610.76 g/mol, XLogP of 9.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine is sourced from PubChem (CID 126614523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).