5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C52H35NO — CID 167252596

IUPAC5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)53(43-31-27-39(28-32-43)37-17-7-2-8-18-37)50-44(40-19-9-3-10-20-40)33-34-47-49-35-48(41-21-11-4-12-22-41)45-23-13-14-24-46(45)51(49)54-52(47)50/h1-35H
InChIKeyXYJAFKIZSFKICC-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167252596) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167252596
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)53(43-31-27-39(28-32-43)37-17-7-2-8-18-37)50-44(40-19-9-3-10-20-40)33-34-47-49-35-48(41-21-11-4-12-22-41)45-23-13-14-24-46(45)51(49)54-52(47)50/h1-35H
InChIKeyXYJAFKIZSFKICC-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,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675430
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
6-phenyl-N,N-bis(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-amine
CID 170535880
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
N-(4-dibenzofuran-3-ylphenyl)-N-(3,5-diphenylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435107
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
N,4-diphenyl-N-[4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]naphthalen-1-amine
CID 167143851

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167252596) is 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is XYJAFKIZSFKICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)53(43-31-27-39(28-32-43)37-17-7-2-8-18-37)50-44(40-19-9-3-10-20-40)33-34-47-49-35-48(41-21-11-4-12-22-41)45-23-13-14-24-46(45)51(49)54-52(47)50/h1-35H.
What are the key properties of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine 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 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167252596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).