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

C59H45N5 — CID 129228125

IUPAC4-[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
SMILESNc1cc(-c2ccc(-c3ccc4c(-c5cccc6cc(-c7ccc(C8NC(c9ccccc9)=NC(c9ccccc9)N8)cc7)ccc56)cccc4c3)cc2)ccc1Nc1ccccc1
InChIInChI=1S/C59H45N5/c60-55-38-47(32-35-56(55)61-50-18-8-3-9-19-50)41-24-22-39(23-25-41)45-30-33-51-48(36-45)16-10-20-53(51)54-21-11-17-49-37-46(31-34-52(49)54)40-26-28-44(29-27-40)59-63-57(42-12-4-1-5-13-42)62-58(64-59)43-14-6-2-7-15-43/h1-38,57,59,61,63H,60H2,(H,62,64)
InChIKeyOGBTXAWMUUMQBF-UHFFFAOYSA-N
MW824.04 g/mol
LogP14.32
Rot. Bonds9

About 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

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 (PubChem CID 129228125) has the molecular formula C59H45N5 and a molecular weight of 824.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID129228125
Molecular FormulaC59H45N5
Molecular Weight824.04 g/mol
Exact Mass823.37
IUPAC Name4-[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
SMILESNc1cc(-c2ccc(-c3ccc4c(-c5cccc6cc(-c7ccc(C8NC(c9ccccc9)=NC(c9ccccc9)N8)cc7)ccc56)cccc4c3)cc2)ccc1Nc1ccccc1
InChIInChI=1S/C59H45N5/c60-55-38-47(32-35-56(55)61-50-18-8-3-9-19-50)41-24-22-39(23-25-41)45-30-33-51-48(36-45)16-10-20-53(51)54-21-11-17-49-37-46(31-34-52(49)54)40-26-28-44(29-27-40)59-63-57(42-12-4-1-5-13-42)62-58(64-59)43-14-6-2-7-15-43/h1-38,57,59,61,63H,60H2,(H,62,64)
InChIKeyOGBTXAWMUUMQBF-UHFFFAOYSA-N
XLogP14.32
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 514.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
6-[6-[3-(4-tert-butylphenyl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-4a,5-dihydrophenanthridine
CID 129201266
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167403396
6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
CID 126614523
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 174322101
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
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-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129128255
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1cc(-c2ccc(-c3ccc4c(-c5cccc6cc(-c7ccc(C8NC(c9ccccc9)=NC(c9ccccc9)N8)cc7)ccc56)cccc4c3)cc2)ccc1Nc1ccccc1.
What is the InChIKey of 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?
The InChIKey is OGBTXAWMUUMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N5/c60-55-38-47(32-35-56(55)61-50-18-8-3-9-19-50)41-24-22-39(23-25-41)45-30-33-51-48(36-45)16-10-20-53(51)54-21-11-17-49-37-46(31-34-52(49)54)40-26-28-44(29-27-40)59-63-57(42-12-4-1-5-13-42)62-58(64-59)43-14-6-2-7-15-43/h1-38,57,59,61,63H,60H2,(H,62,64).
What are the key properties of 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?
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 has a molecular weight of 824.04 g/mol, XLogP of 14.32, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129228125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).