N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine

C58H37NO — CID 168804799

IUPACN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc5c(ccc6cc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8ccccc78)ccc65)c4)cc23)cc1
InChIInChI=1S/C58H37NO/c1-2-11-40(12-3-1)53-20-10-21-54-55-37-43(28-34-57(55)60-58(53)54)42-27-32-50-44(35-42)23-24-45-36-47(31-33-51(45)50)59(56-22-9-16-39-14-5-7-18-52(39)56)46-29-25-41(26-30-46)49-19-8-15-38-13-4-6-17-48(38)49/h1-37H
InChIKeyRESAKPUBATWUAB-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine

N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine (PubChem CID 168804799) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
PubChem CID168804799
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc5c(ccc6cc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8ccccc78)ccc65)c4)cc23)cc1
InChIInChI=1S/C58H37NO/c1-2-11-40(12-3-1)53-20-10-21-54-55-37-43(28-34-57(55)60-58(53)54)42-27-32-50-44(35-42)23-24-45-36-47(31-33-51(45)50)59(56-22-9-16-39-14-5-7-18-52(39)56)46-29-25-41(26-30-46)49-19-8-15-38-13-4-6-17-48(38)49/h1-37H
InChIKeyRESAKPUBATWUAB-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

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170127531
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine (CID 168804799) is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc5c(ccc6cc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8ccccc78)ccc65)c4)cc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine?
The InChIKey is RESAKPUBATWUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-2-11-40(12-3-1)53-20-10-21-54-55-37-43(28-34-57(55)60-58(53)54)42-27-32-50-44(35-42)23-24-45-36-47(31-33-51(45)50)59(56-22-9-16-39-14-5-7-18-52(39)56)46-29-25-41(26-30-46)49-19-8-15-38-13-4-6-17-48(38)49/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine?
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-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-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine is sourced from PubChem (CID 168804799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).