4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline

C40H29N — CID 123258415

IUPAC4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)C2=CCc3cccc4ccc1c2c34
InChIInChI=1S/C40H29N/c1-3-8-28(9-4-1)29-16-22-35(23-17-29)41(34-12-5-2-6-13-34)36-24-18-30(19-25-36)37-26-20-33-15-14-31-10-7-11-32-21-27-38(37)40(33)39(31)32/h1-20,22-27,37H,21H2
InChIKeyTYYOCTVTIPSXJB-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.73
Rot. Bonds5

About 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline

4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 123258415) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID123258415
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)C2=CCc3cccc4ccc1c2c34
InChIInChI=1S/C40H29N/c1-3-8-28(9-4-1)29-16-22-35(23-17-29)41(34-12-5-2-6-13-34)36-24-18-30(19-25-36)37-26-20-33-15-14-31-10-7-11-32-21-27-38(37)40(33)39(31)32/h1-20,22-27,37H,21H2
InChIKeyTYYOCTVTIPSXJB-UHFFFAOYSA-N
XLogP10.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,9-dihydropyren-1-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(1,9-dihydropyren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(1,9-dihydropyren-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-1,9-dihydropyren-1-yl]aniline;N-naphthalen-2-yl-N-[4-[6-[4-(N-phenylanilino)phenyl]-4,6-dihydropyren-1-yl]phenyl]naphthalen-2-amine
CID 158695112
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine
CID 168814072
1-N,1-N,6-N,6-N-tetraphenyl-1,9-dihydropyrene-1,6-diamine
CID 142730175
4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline
CID 89375125
1-(3H-phenalen-1-yl)-1H-phenalene
CID 174604629
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 123258415) is 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)C2=CCc3cccc4ccc1c2c34.
What is the InChIKey of 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is TYYOCTVTIPSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-3-8-28(9-4-1)29-16-22-35(23-17-29)41(34-12-5-2-6-13-34)36-24-18-30(19-25-36)37-26-20-33-15-14-31-10-7-11-32-21-27-38(37)40(33)39(31)32/h1-20,22-27,37H,21H2.
What are the key properties of 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 523.68 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 123258415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).