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

C48H31NO — CID 169295286

IUPACN-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-3-14-32(15-4-1)33-26-28-37(29-27-33)49(45-31-36-19-7-9-20-38(36)40-22-11-12-23-41(40)45)44-25-13-24-42-43-30-35-18-8-10-21-39(35)46(48(43)50-47(42)44)34-16-5-2-6-17-34/h1-31H
InChIKeyKLYFWADIRRWAHU-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

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

N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169295286) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169295286
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-3-14-32(15-4-1)33-26-28-37(29-27-33)49(45-31-36-19-7-9-20-38(36)40-22-11-12-23-41(40)45)44-25-13-24-42-43-30-35-18-8-10-21-39(35)46(48(43)50-47(42)44)34-16-5-2-6-17-34/h1-31H
InChIKeyKLYFWADIRRWAHU-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
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

6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295539
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296395
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
6-(4-naphthalen-1-ylphenyl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295749
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167276510
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 169295286) is N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is KLYFWADIRRWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-14-32(15-4-1)33-26-28-37(29-27-33)49(45-31-36-19-7-9-20-38(36)40-22-11-12-23-41(40)45)44-25-13-24-42-43-30-35-18-8-10-21-39(35)46(48(43)50-47(42)44)34-16-5-2-6-17-34/h1-31H.
What are the key properties of N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169295286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).