4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole

C29H21P — CID 161037501

IUPAC4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole
SMILESc1cc(Cc2ccc3ccccc3c2)cc(-c2cccc3c2[pH]c2ccccc23)c1
InChIInChI=1S/C29H21P/c1-2-9-23-18-21(15-16-22(23)8-1)17-20-7-5-10-24(19-20)25-12-6-13-27-26-11-3-4-14-28(26)30-29(25)27/h1-16,18-19,30H,17H2
InChIKeyYTVLBWMQFKWLLD-UHFFFAOYSA-N
MW400.46 g/mol
LogP8.44
Rot. Bonds3

About 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole

4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole (PubChem CID 161037501) has the molecular formula C29H21P and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole.

Molecular Properties

Compound Name4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole
PubChem CID161037501
Molecular FormulaC29H21P
Molecular Weight400.46 g/mol
Exact Mass400.14
IUPAC Name4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole
SMILESc1cc(Cc2ccc3ccccc3c2)cc(-c2cccc3c2[pH]c2ccccc23)c1
InChIInChI=1S/C29H21P/c1-2-9-23-18-21(15-16-22(23)8-1)17-20-7-5-10-24(19-20)25-12-6-13-27-26-11-3-4-14-28(26)30-29(25)27/h1-16,18-19,30H,17H2
InChIKeyYTVLBWMQFKWLLD-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
benzylbenzene;1-benzyl-3-phenylbenzene;2-(naphthalen-2-ylmethyl)naphthalene;N-naphthalen-1-ylnaphthalen-1-amine;N-phenylnaphthalen-1-amine;2-[(4-phenylphenyl)methyl]naphthalene;1-phenyl-3-[(3-phenylphenyl)methyl]benzene
CID 161127822
2-benzylnaphthalene
CID 11948
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]carbazole;3-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]-9-phenylcarbazole;9-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 160958681
9-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]carbazole;3-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]-9-phenylcarbazole;9-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole
CID 158008709
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
CID 142294282

Frequently Asked Questions

What is the IUPAC name of 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole?
The IUPAC name of 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole (CID 161037501) is 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole.
What is the SMILES notation for 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole?
The canonical SMILES for 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole is c1cc(Cc2ccc3ccccc3c2)cc(-c2cccc3c2[pH]c2ccccc23)c1.
What is the InChIKey of 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole?
The InChIKey is YTVLBWMQFKWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21P/c1-2-9-23-18-21(15-16-22(23)8-1)17-20-7-5-10-24(19-20)25-12-6-13-27-26-11-3-4-14-28(26)30-29(25)27/h1-16,18-19,30H,17H2.
What are the key properties of 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole?
4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole has a molecular weight of 400.46 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(naphthalen-2-ylmethyl)phenyl]-5H-benzo[b]phosphindole is sourced from PubChem (CID 161037501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).