3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C37H29N — CID 154972890

IUPAC3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(Nc4ccc(-c5cccc6ccccc56)cc4)c3)ccc21
InChIInChI=1S/C37H29N/c1-37(2)35-16-6-5-14-33(35)34-24-28(19-22-36(34)37)27-11-7-12-30(23-27)38-29-20-17-26(18-21-29)32-15-8-10-25-9-3-4-13-31(25)32/h3-24,38H,1-2H3
InChIKeyXSAPRXLAHDYUKE-UHFFFAOYSA-N
MW487.65 g/mol
LogP10.22
Rot. Bonds4

About 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline

3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 154972890) has the molecular formula C37H29N and a molecular weight of 487.65 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID154972890
Molecular FormulaC37H29N
Molecular Weight487.65 g/mol
Exact Mass487.23
IUPAC Name3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(Nc4ccc(-c5cccc6ccccc56)cc4)c3)ccc21
InChIInChI=1S/C37H29N/c1-37(2)35-16-6-5-14-33(35)34-24-28(19-22-36(34)37)27-11-7-12-30(23-27)38-29-20-17-26(18-21-29)32-15-8-10-25-9-3-4-13-31(25)32/h3-24,38H,1-2H3
InChIKeyXSAPRXLAHDYUKE-UHFFFAOYSA-N
XLogP10.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 154972890) is 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(Nc4ccc(-c5cccc6ccccc56)cc4)c3)ccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is XSAPRXLAHDYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N/c1-37(2)35-16-6-5-14-33(35)34-24-28(19-22-36(34)37)27-11-7-12-30(23-27)38-29-20-17-26(18-21-29)32-15-8-10-25-9-3-4-13-31(25)32/h3-24,38H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 487.65 g/mol, XLogP of 10.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 154972890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).