6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C44H29NO — CID 130290545

IUPAC6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-24-26-37(27-25-32)45(36-17-5-2-6-18-36)41-21-11-20-39-42-38-19-10-9-16-34(38)29-40(44(42)46-43(39)41)35-23-22-31-14-7-8-15-33(31)28-35/h1-29H
InChIKeyRTECUXJXTLRVBA-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130290545) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130290545
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-24-26-37(27-25-32)45(36-17-5-2-6-18-36)41-21-11-20-39-42-38-19-10-9-16-34(38)29-40(44(42)46-43(39)41)35-23-22-31-14-7-8-15-33(31)28-35/h1-29H
InChIKeyRTECUXJXTLRVBA-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 161499760
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-naphthalen-2-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-amine
CID 130466786

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130290545) is 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)cc5ccccc5c34)cc2)cc1.
What is the InChIKey of 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is RTECUXJXTLRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-24-26-37(27-25-32)45(36-17-5-2-6-18-36)41-21-11-20-39-42-38-19-10-9-16-34(38)29-40(44(42)46-43(39)41)35-23-22-31-14-7-8-15-33(31)28-35/h1-29H.
What are the key properties of 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130290545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).