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

C50H33NO — CID 167253410

IUPACN-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(oc5c6ccccc6c(-c6ccccc6)cc45)c3-c3ccccc3)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)32-41)47-31-30-44-46-33-45(37-17-6-2-7-18-37)42-22-12-13-23-43(42)49(46)52-50(44)48(47)38-19-8-3-9-20-38/h1-33H
InChIKeyOSOZCBPNUOCQCR-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167253410) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167253410
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(oc5c6ccccc6c(-c6ccccc6)cc45)c3-c3ccccc3)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)32-41)47-31-30-44-46-33-45(37-17-6-2-7-18-37)42-22-12-13-23-43(42)49(46)52-50(44)48(47)38-19-8-3-9-20-38/h1-33H
InChIKeyOSOZCBPNUOCQCR-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

N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433613
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675548
N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252565
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296395
N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675432
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160597772
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-naphthalen-2-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-amine
CID 130466786
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 167253410) is N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(oc5c6ccccc6c(-c6ccccc6)cc45)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is OSOZCBPNUOCQCR-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)32-41)47-31-30-44-46-33-45(37-17-6-2-7-18-37)42-22-12-13-23-43(42)49(46)52-50(44)48(47)38-19-8-3-9-20-38/h1-33H.
What are the key properties of N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-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-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167253410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).