N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C50H33NO — CID 167252565

IUPACN-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C50H33NO/c1-4-14-34(15-5-1)36-24-27-40(28-25-36)51(41-29-26-35-16-10-11-21-39(35)30-41)48-32-46-47-31-44(37-17-6-2-7-18-37)42-22-12-13-23-43(42)50(47)52-49(46)33-45(48)38-19-8-3-9-20-38/h1-33H
InChIKeyNOGYVHBNVGFZEH-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167252565) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167252565
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C50H33NO/c1-4-14-34(15-5-1)36-24-27-40(28-25-36)51(41-29-26-35-16-10-11-21-39(35)30-41)48-32-46-47-31-44(37-17-6-2-7-18-37)42-22-12-13-23-43(42)50(47)52-49(46)33-45(48)38-19-8-3-9-20-38/h1-33H
InChIKeyNOGYVHBNVGFZEH-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136
N-phenyl-N,9-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243077
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167253410
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167402145
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
N,N-bis(4-phenylphenyl)-7-[3-(N-(4-phenylphenyl)anilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 158142050
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 171755363
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167252565) is N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is NOGYVHBNVGFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-4-14-34(15-5-1)36-24-27-40(28-25-36)51(41-29-26-35-16-10-11-21-39(35)30-41)48-32-46-47-31-44(37-17-6-2-7-18-37)42-22-12-13-23-43(42)50(47)52-49(46)33-45(48)38-19-8-3-9-20-38/h1-33H.
What are the key properties of N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167252565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).