7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine

C34H25N — CID 88889148

IUPAC7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine
SMILESNc1cc2c(cc1-c1ccccc1)c1c(c3ccccc32)C=C(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C34H25N/c35-34-21-33-28-13-7-6-12-27(28)31-19-26(25-15-14-22-8-4-5-11-24(22)18-25)16-17-29(31)32(33)20-30(34)23-9-2-1-3-10-23/h1-15,18-21H,16-17,35H2
InChIKeyQWNAOBZFTQRIPR-UHFFFAOYSA-N
MW447.58 g/mol
LogP8.88
Rot. Bonds2

About 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine

7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine (PubChem CID 88889148) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine
PubChem CID88889148
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine
SMILESNc1cc2c(cc1-c1ccccc1)c1c(c3ccccc32)C=C(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C34H25N/c35-34-21-33-28-13-7-6-12-27(28)31-19-26(25-15-14-22-8-4-5-11-24(22)18-25)16-17-29(31)32(33)20-30(34)23-9-2-1-3-10-23/h1-15,18-21H,16-17,35H2
InChIKeyQWNAOBZFTQRIPR-UHFFFAOYSA-N
XLogP8.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-2-yl-21-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629422
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
6-(3,5-dinaphthalen-2-ylphenyl)-2,4-diphenylquinazoline;2,4-diphenyl-6-(4-phenylnaphthalen-1-yl)quinazoline;2,4-diphenyl-6-triphenylen-2-ylquinazoline
CID 158031758
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
CID 123148312
1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine
CID 87827288
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine?
The IUPAC name of 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine (CID 88889148) is 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine.
What is the SMILES notation for 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine?
The canonical SMILES for 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine is Nc1cc2c(cc1-c1ccccc1)c1c(c3ccccc32)C=C(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine?
The InChIKey is QWNAOBZFTQRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c35-34-21-33-28-13-7-6-12-27(28)31-19-26(25-15-14-22-8-4-5-11-24(22)18-25)16-17-29(31)32(33)20-30(34)23-9-2-1-3-10-23/h1-15,18-21H,16-17,35H2.
What are the key properties of 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine?
7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine has a molecular weight of 447.58 g/mol, XLogP of 8.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine is sourced from PubChem (CID 88889148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).