N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine

C54H35N3O — CID 156549157

IUPACN-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5c(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)cc6ccccc6c5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N3O/c1-4-17-37(18-5-1)48-35-49(56-54(55-48)38-19-6-2-7-20-38)46-28-15-29-50-51(46)52-45-27-13-12-22-41(45)34-47(53(52)58-50)40-23-14-26-43(33-40)57(42-24-8-3-9-25-42)44-31-30-36-16-10-11-21-39(36)32-44/h1-35H
InChIKeyIFHXKBRSZXAUTL-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

About N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 156549157) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID156549157
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5c(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)cc6ccccc6c5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N3O/c1-4-17-37(18-5-1)48-35-49(56-54(55-48)38-19-6-2-7-20-38)46-28-15-29-50-51(46)52-45-27-13-12-22-41(45)34-47(53(52)58-50)40-23-14-26-43(33-40)57(42-24-8-3-9-25-42)44-31-30-36-16-10-11-21-39(36)32-44/h1-35H
InChIKeyIFHXKBRSZXAUTL-UHFFFAOYSA-N
XLogP14.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 163478492
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961
3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-N-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 88567931
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
2-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-4,6-diphenylpyrimidine
CID 126764196
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
N-[4-[12-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 171054886
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166974750
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320717
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726

Frequently Asked Questions

What is the IUPAC name of N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 156549157) is N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2cc(-c3cccc4oc5c(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)cc6ccccc6c5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is IFHXKBRSZXAUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-17-37(18-5-1)48-35-49(56-54(55-48)38-19-6-2-7-20-38)46-28-15-29-50-51(46)52-45-27-13-12-22-41(45)34-47(53(52)58-50)40-23-14-26-43(33-40)57(42-24-8-3-9-25-42)44-31-30-36-16-10-11-21-39(36)32-44/h1-35H.
What are the key properties of N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 741.89 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 156549157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).