N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine

C50H31NO — CID 146861358

IUPACN-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(-c2cccc3oc4c(ccc5cccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7ccc8ccccc8c7c6)c54)c23)cc1
InChIInChI=1S/C50H31NO/c1-2-10-32(11-3-1)43-17-9-19-47-49(43)44-28-25-36-14-8-18-46(48(36)50(44)52-47)51(38-27-29-42-37(30-38)23-22-33-12-4-6-15-40(33)42)39-26-24-35-21-20-34-13-5-7-16-41(34)45(35)31-39/h1-31H
InChIKeySKSCELMHEHSCTF-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.49
Rot. Bonds4

About N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine

N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 146861358) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine
PubChem CID146861358
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC NameN-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(-c2cccc3oc4c(ccc5cccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7ccc8ccccc8c7c6)c54)c23)cc1
InChIInChI=1S/C50H31NO/c1-2-10-32(11-3-1)43-17-9-19-47-49(43)44-28-25-36-14-8-18-46(48(36)50(44)52-47)51(38-27-29-42-37(30-38)23-22-33-12-4-6-15-40(33)42)39-26-24-35-21-20-34-13-5-7-16-41(34)45(35)31-39/h1-31H
InChIKeySKSCELMHEHSCTF-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.49
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

N-phenanthren-2-yl-N,7-diphenylnaphtho[1,2-b][1]benzofuran-1-amine;N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine;4-phenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161138706
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278179
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881
N-phenanthren-3-yl-9-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 146817238
N-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine (CID 146861358) is N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine is c1ccc(-c2cccc3oc4c(ccc5cccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7ccc8ccccc8c7c6)c54)c23)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is SKSCELMHEHSCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-2-10-32(11-3-1)43-17-9-19-47-49(43)44-28-25-36-14-8-18-46(48(36)50(44)52-47)51(38-27-29-42-37(30-38)23-22-33-12-4-6-15-40(33)42)39-26-24-35-21-20-34-13-5-7-16-41(34)45(35)31-39/h1-31H.
What are the key properties of N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine has a molecular weight of 661.80 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 146861358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).