N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C58H37NO — CID 169007692

IUPACN-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H37NO/c1-3-13-38(14-4-1)50-29-27-47(36-55(50)39-15-5-2-6-16-39)59(48-28-30-53-56-33-40-17-7-8-18-41(40)35-57(56)60-58(53)37-48)46-26-25-42-31-45(24-23-43(42)32-46)54-34-44-19-9-10-20-49(44)51-21-11-12-22-52(51)54/h1-37H
InChIKeyCUAYEWHGCSEQAM-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169007692) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169007692
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H37NO/c1-3-13-38(14-4-1)50-29-27-47(36-55(50)39-15-5-2-6-16-39)59(48-28-30-53-56-33-40-17-7-8-18-41(40)35-57(56)60-58(53)37-48)46-26-25-42-31-45(24-23-43(42)32-46)54-34-44-19-9-10-20-49(44)51-21-11-12-22-52(51)54/h1-37H
InChIKeyCUAYEWHGCSEQAM-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 170126534
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007331
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766345
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 170117885
N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007230
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzothiol-2-amine
CID 169007622
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169007772
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-[4-(3,4-diphenylphenyl)-3-phenylphenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766295

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169007692) is N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is CUAYEWHGCSEQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-13-38(14-4-1)50-29-27-47(36-55(50)39-15-5-2-6-16-39)59(48-28-30-53-56-33-40-17-7-8-18-41(40)35-57(56)60-58(53)37-48)46-26-25-42-31-45(24-23-43(42)32-46)54-34-44-19-9-10-20-49(44)51-21-11-12-22-52(51)54/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 763.94 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169007692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).