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

C54H35N3O — CID 166974751

IUPACN-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4c3oc3cc5ccccc5cc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-38(16-5-1)50-35-51(56-54(55-50)39-17-6-2-7-18-39)49-33-43(32-48-47-31-41-20-12-13-21-42(41)34-52(47)58-53(48)49)37-24-27-45(28-25-37)57(44-22-8-3-9-23-44)46-29-26-36-14-10-11-19-40(36)30-46/h1-35H
InChIKeyOEXNVVURAIXWAZ-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

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

N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 166974751) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID166974751
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4c3oc3cc5ccccc5cc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-38(16-5-1)50-35-51(56-54(55-50)39-17-6-2-7-18-39)49-33-43(32-48-47-31-41-20-12-13-21-42(41)34-52(47)58-53(48)49)37-24-27-45(28-25-37)57(44-22-8-3-9-23-44)46-29-26-36-14-10-11-19-40(36)30-46/h1-35H
InChIKeyOEXNVVURAIXWAZ-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

4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,3-diphenylaniline
CID 166974730
4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
CID 167144260
N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
CID 166511583
4-[2-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211722
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
N,N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287
N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 156549157
N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166974724
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155360511
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166511407

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 166974751) is N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4c3oc3cc5ccccc5cc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is OEXNVVURAIXWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-15-38(16-5-1)50-35-51(56-54(55-50)39-17-6-2-7-18-39)49-33-43(32-48-47-31-41-20-12-13-21-42(41)34-52(47)58-53(48)49)37-24-27-45(28-25-37)57(44-22-8-3-9-23-44)46-29-26-36-14-10-11-19-40(36)30-46/h1-35H.
What are the key properties of N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-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-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 166974751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).