N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline

C52H35NO — CID 169280400

IUPACN,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)38-24-26-41(27-25-38)50-49(45-20-10-11-21-46(45)52-51(50)47-22-12-13-23-48(47)54-52)40-30-34-44(35-31-40)53(42-18-8-3-9-19-42)43-32-28-39(29-33-43)37-16-6-2-7-17-37/h1-35H
InChIKeyRYDUNIBGDAKFPP-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline

N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline (PubChem CID 169280400) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
PubChem CID169280400
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)38-24-26-41(27-25-38)50-49(45-20-10-11-21-46(45)52-51(50)47-22-12-13-23-48(47)54-52)40-30-34-44(35-31-40)53(42-18-8-3-9-19-42)43-32-28-39(29-33-43)37-16-6-2-7-17-37/h1-35H
InChIKeyRYDUNIBGDAKFPP-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,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 169280672
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 169280437
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280806
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 160799750
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N,N-diphenyl-4-[6-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]aniline
CID 170535971
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline (CID 169280400) is N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline?
The InChIKey is RYDUNIBGDAKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-14-36(15-5-1)38-24-26-41(27-25-38)50-49(45-20-10-11-21-46(45)52-51(50)47-22-12-13-23-48(47)54-52)40-30-34-44(35-31-40)53(42-18-8-3-9-19-42)43-32-28-39(29-33-43)37-16-6-2-7-17-37/h1-35H.
What are the key properties of N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-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,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline is sourced from PubChem (CID 169280400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).