N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine

C42H33NO — CID 121327873

IUPACN-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C42H33NO/c1-42(2,3)32-17-21-34(22-18-32)43(35-23-24-37-31(26-35)13-12-29-8-4-5-9-36(29)37)33-19-14-28(15-20-33)30-16-25-41-39(27-30)38-10-6-7-11-40(38)44-41/h4-27H,1-3H3
InChIKeyVBLKAROGBCFZNF-UHFFFAOYSA-N
MW567.73 g/mol
LogP12.33
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine

N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine (PubChem CID 121327873) has the molecular formula C42H33NO and a molecular weight of 567.73 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
PubChem CID121327873
Molecular FormulaC42H33NO
Molecular Weight567.73 g/mol
Exact Mass567.26
IUPAC NameN-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C42H33NO/c1-42(2,3)32-17-21-34(22-18-32)43(35-23-24-37-31(26-35)13-12-29-8-4-5-9-36(29)37)33-19-14-28(15-20-33)30-16-25-41-39(27-30)38-10-6-7-11-40(38)44-41/h4-27H,1-3H3
InChIKeyVBLKAROGBCFZNF-UHFFFAOYSA-N
XLogP12.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine (CID 121327873) is N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine?
The InChIKey is VBLKAROGBCFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NO/c1-42(2,3)32-17-21-34(22-18-32)43(35-23-24-37-31(26-35)13-12-29-8-4-5-9-36(29)37)33-19-14-28(15-20-33)30-16-25-41-39(27-30)38-10-6-7-11-40(38)44-41/h4-27H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine?
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine has a molecular weight of 567.73 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 121327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).