N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine

C36H23NO — CID 167278045

IUPACN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3cccc4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C36H23NO/c1-3-15-27-24(10-1)12-7-18-31(27)37(32-19-8-13-25-11-2-4-16-28(25)32)33-20-9-14-26-22-23-30-29-17-5-6-21-34(29)38-36(30)35(26)33/h1-23H
InChIKeyMNODVPRRUZKVCA-UHFFFAOYSA-N
MW485.59 g/mol
LogP10.52
Rot. Bonds3

About N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine

N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 167278045) has the molecular formula C36H23NO and a molecular weight of 485.59 g/mol. Its IUPAC name is N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
PubChem CID167278045
Molecular FormulaC36H23NO
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC NameN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3cccc4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C36H23NO/c1-3-15-27-24(10-1)12-7-18-31(27)37(32-19-8-13-25-11-2-4-16-28(25)32)33-20-9-14-26-22-23-30-29-17-5-6-21-34(29)38-36(30)35(26)33/h1-23H
InChIKeyMNODVPRRUZKVCA-UHFFFAOYSA-N
XLogP10.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167277676
N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278179
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
N-methyl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 169285523
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
CID 121325395
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277908
N-naphthalen-1-yl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]phenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine (CID 167278045) is N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine is c1ccc2c(N(c3cccc4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1.
What is the InChIKey of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is MNODVPRRUZKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO/c1-3-15-27-24(10-1)12-7-18-31(27)37(32-19-8-13-25-11-2-4-16-28(25)32)33-20-9-14-26-22-23-30-29-17-5-6-21-34(29)38-36(30)35(26)33/h1-23H.
What are the key properties of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine?
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine has a molecular weight of 485.59 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 167278045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).