N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine

C46H29NO — CID 176820953

IUPACN-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)38-26-27-42(45-41-20-10-11-21-44(41)48-46(38)45)47(34-24-25-37-33(28-34)23-22-31-14-4-6-16-35(31)37)43-29-32-15-5-7-17-36(32)39-18-8-9-19-40(39)43/h1-29H
InChIKeyGCRKZFFTNSDXEH-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine

N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine (PubChem CID 176820953) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
PubChem CID176820953
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)38-26-27-42(45-41-20-10-11-21-44(41)48-46(38)45)47(34-24-25-37-33(28-34)23-22-31-14-4-6-16-35(31)37)43-29-32-15-5-7-17-36(32)39-18-8-9-19-40(39)43/h1-29H
InChIKeyGCRKZFFTNSDXEH-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
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-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 176821436
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine (CID 176820953) is N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine?
The InChIKey is GCRKZFFTNSDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-12-30(13-3-1)38-26-27-42(45-41-20-10-11-21-44(41)48-46(38)45)47(34-24-25-37-33(28-34)23-22-31-14-4-6-16-35(31)37)43-29-32-15-5-7-17-36(32)39-18-8-9-19-40(39)43/h1-29H.
What are the key properties of N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine?
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 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-9-yl-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176820953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).