N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine

C50H33NO — CID 167236501

IUPACN-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C50H33NO/c1-2-12-37(13-3-1)44-18-9-20-46-47-21-10-19-45(50(47)52-49(44)46)38-27-31-42(32-28-38)51(48-22-8-16-36-14-6-7-17-43(36)48)41-29-25-35(26-30-41)40-24-23-34-11-4-5-15-39(34)33-40/h1-33H
InChIKeyDENQGQYKJQHPNY-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine

N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine (PubChem CID 167236501) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
PubChem CID167236501
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C50H33NO/c1-2-12-37(13-3-1)44-18-9-20-46-47-21-10-19-45(50(47)52-49(44)46)38-27-31-42(32-28-38)51(48-22-8-16-36-14-6-7-17-43(36)48)41-29-25-35(26-30-41)40-24-23-34-11-4-5-15-39(34)33-40/h1-33H
InChIKeyDENQGQYKJQHPNY-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 164831588
N-[4-(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-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 130466818
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N,4-diphenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 159878876
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
CID 168771854
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 160949649
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
CID 174274328
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine (CID 167236501) is N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)cc4)cccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is DENQGQYKJQHPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-12-37(13-3-1)44-18-9-20-46-47-21-10-19-45(50(47)52-49(44)46)38-27-31-42(32-28-38)51(48-22-8-16-36-14-6-7-17-43(36)48)41-29-25-35(26-30-41)40-24-23-34-11-4-5-15-39(34)33-40/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine?
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167236501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).