N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine

C53H37NO — CID 169293400

IUPACN-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-31-41(32-30-38)52(40-21-9-3-10-22-40)44-34-49(53-47-33-42-23-13-14-24-43(42)35-50(47)55-51(53)36-44)54(45-25-11-4-12-26-45)48-28-16-15-27-46(48)39-19-7-2-8-20-39/h1-36,52H
InChIKeyRBOXWDFQLXQGNW-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.72
Rot. Bonds8

About N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine

N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169293400) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169293400
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-31-41(32-30-38)52(40-21-9-3-10-22-40)44-34-49(53-47-33-42-23-13-14-24-43(42)35-50(47)55-51(53)36-44)54(45-25-11-4-12-26-45)48-28-16-15-27-46(48)39-19-7-2-8-20-39/h1-36,52H
InChIKeyRBOXWDFQLXQGNW-UHFFFAOYSA-N
XLogP14.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-diphenyl-2-N,3-N-bis(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
CID 166856649
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
CID 166856527
17-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753218
7-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-17-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753234
1-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,3-diamine
CID 166916411
3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 166915998
4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 171587141
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine
CID 171587201
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361206
7-N,17-N-bis(2-phenylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753231

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine (CID 169293400) is N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(C(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is RBOXWDFQLXQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-31-41(32-30-38)52(40-21-9-3-10-22-40)44-34-49(53-47-33-42-23-13-14-24-43(42)35-50(47)55-51(53)36-44)54(45-25-11-4-12-26-45)48-28-16-15-27-46(48)39-19-7-2-8-20-39/h1-36,52H.
What are the key properties of N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine?
N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 703.89 g/mol, XLogP of 14.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169293400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).