2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine

C53H38N2 — CID 58661028

IUPAC2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine

SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Cc3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)cc2)cc1

InChIInChI=1S/C53H38N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37H,35H2

InChIKeyCDWZTHLIKWQPDE-UHFFFAOYSA-N

MW702.90 g/mol

LogP14.68

Rot. Bonds8

About 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine

2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine (PubChem CID 58661028) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name	2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
PubChem CID	58661028
Molecular Formula	C53H38N2
Molecular Weight	702.90 g/mol
Exact Mass	702.30
IUPAC Name	2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
SMILES	c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Cc3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)cc2)cc1
InChI	InChI=1S/C53H38N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37H,35H2
InChIKey	CDWZTHLIKWQPDE-UHFFFAOYSA-N
XLogP	14.68
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	8
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.90
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine?

The IUPAC name of 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine (CID 58661028) is 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine.

What is the SMILES notation for 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine?

The canonical SMILES for 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Cc3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)cc2)cc1.

What is the InChIKey of 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine?

The InChIKey is CDWZTHLIKWQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37H,35H2.

What are the key properties of 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine?

2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine has a molecular weight of 702.90 g/mol, XLogP of 14.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine is sourced from PubChem (CID 58661028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).