5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine

C52H39N3 — CID 59221614

IUPAC5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine

SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)nc4)cc3)cc21

InChIInChI=1S/C52H39N3/c1-52(2)48-21-11-10-20-46(48)47-31-30-44(34-49(47)52)54(41-17-4-3-5-18-41)42-27-23-37(24-28-42)40-26-32-51(53-35-40)55(43-29-25-36-13-6-7-15-39(36)33-43)50-22-12-16-38-14-8-9-19-45(38)50/h3-35H,1-2H3

InChIKeyLSDXKLVPVBEISN-UHFFFAOYSA-N

MW705.91 g/mol

LogP14.30

Rot. Bonds7

About 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine

5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine (PubChem CID 59221614) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine.

Molecular Properties

Compound Name	5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine
PubChem CID	59221614
Molecular Formula	C52H39N3
Molecular Weight	705.91 g/mol
Exact Mass	705.31
IUPAC Name	5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine
SMILES	CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)nc4)cc3)cc21
InChI	InChI=1S/C52H39N3/c1-52(2)48-21-11-10-20-46(48)47-31-30-44(34-49(47)52)54(41-17-4-3-5-18-41)42-27-23-37(24-28-42)40-26-32-51(53-35-40)55(43-29-25-36-13-6-7-15-39(36)33-43)50-22-12-16-38-14-8-9-19-45(38)50/h3-35H,1-2H3
InChIKey	LSDXKLVPVBEISN-UHFFFAOYSA-N
XLogP	14.30
TPSA	19.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.91
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine?

The IUPAC name of 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine (CID 59221614) is 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine.

What is the SMILES notation for 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine?

The canonical SMILES for 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)nc4)cc3)cc21.

What is the InChIKey of 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine?

The InChIKey is LSDXKLVPVBEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-52(2)48-21-11-10-20-46(48)47-31-30-44(34-49(47)52)54(41-17-4-3-5-18-41)42-27-23-37(24-28-42)40-26-32-51(53-35-40)55(43-29-25-36-13-6-7-15-39(36)33-43)50-22-12-16-38-14-8-9-19-45(38)50/h3-35H,1-2H3.

What are the key properties of 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine?

5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine has a molecular weight of 705.91 g/mol, XLogP of 14.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-naphthalen-1-yl-N-naphthalen-2-ylpyridin-2-amine is sourced from PubChem (CID 59221614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).