N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline

C52H35NO — CID 169295916

IUPACN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-24-26-41(27-25-37)51-47-19-11-10-14-43(47)34-49-48-33-30-42(35-50(48)54-52(49)51)40-22-20-38(21-23-40)39-28-31-46(32-29-39)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-35H
InChIKeyPWEAKNUGRPBMAN-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline

N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline (PubChem CID 169295916) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
PubChem CID169295916
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-24-26-41(27-25-37)51-47-19-11-10-14-43(47)34-49-48-33-30-42(35-50(48)54-52(49)51)40-22-20-38(21-23-40)39-28-31-46(32-29-39)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-35H
InChIKeyPWEAKNUGRPBMAN-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
6-naphthalen-2-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295404
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
6-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296391
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295558
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline (CID 169295916) is N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline?
The InChIKey is PWEAKNUGRPBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-24-26-41(27-25-37)51-47-19-11-10-14-43(47)34-49-48-33-30-42(35-50(48)54-52(49)51)40-22-20-38(21-23-40)39-28-31-46(32-29-39)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-35H.
What are the key properties of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline?
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline is sourced from PubChem (CID 169295916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).