4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H45N — CID 170289851

IUPAC4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C58H45N/c1-58(2,3)44-36-38-56(53(39-44)41-21-8-5-9-22-41)59(54-33-14-12-27-50(54)48-31-18-30-47-45-26-11-10-23-42(45)35-37-49(47)48)55-34-15-13-28-51(55)52-32-17-25-43-24-16-29-46(57(43)52)40-19-6-4-7-20-40/h4-39H,1-3H3
InChIKeyFPPMNGFMTSPZQJ-UHFFFAOYSA-N
MW756.01 g/mol
LogP16.58
Rot. Bonds7

About 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170289851) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170289851
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC Name4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C58H45N/c1-58(2,3)44-36-38-56(53(39-44)41-21-8-5-9-22-41)59(54-33-14-12-27-50(54)48-31-18-30-47-45-26-11-10-23-42(45)35-37-49(47)48)55-34-15-13-28-51(55)52-32-17-25-43-24-16-29-46(57(43)52)40-19-6-4-7-20-40/h4-39H,1-3H3
InChIKeyFPPMNGFMTSPZQJ-UHFFFAOYSA-N
XLogP16.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
CID 170301995
N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine
CID 170297192
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977
5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290061
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170304803
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170289851) is 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is FPPMNGFMTSPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-58(2,3)44-36-38-56(53(39-44)41-21-8-5-9-22-41)59(54-33-14-12-27-50(54)48-31-18-30-47-45-26-11-10-23-42(45)35-37-49(47)48)55-34-15-13-28-51(55)52-32-17-25-43-24-16-29-46(57(43)52)40-19-6-4-7-20-40/h4-39H,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 756.01 g/mol, XLogP of 16.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170289851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).