N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline

C42H35N — CID 177097061

IUPACN-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cccc(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H35N/c1-42(2,3)36-24-26-38(27-25-36)43(37-16-5-4-6-17-37)40-19-11-18-39(34-22-20-30-12-7-9-14-32(30)28-34)41(40)35-23-21-31-13-8-10-15-33(31)29-35/h4-29H,1-3H3
InChIKeyGBJPUDRTCFAUOP-UHFFFAOYSA-N
MW553.75 g/mol
LogP12.09
Rot. Bonds5

About N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline

N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline (PubChem CID 177097061) has the molecular formula C42H35N and a molecular weight of 553.75 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline
PubChem CID177097061
Molecular FormulaC42H35N
Molecular Weight553.75 g/mol
Exact Mass553.28
IUPAC NameN-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cccc(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H35N/c1-42(2,3)36-24-26-38(27-25-36)43(37-16-5-4-6-17-37)40-19-11-18-39(34-22-20-30-12-7-9-14-32(30)28-34)41(40)35-23-21-31-13-8-10-15-33(31)29-35/h4-29H,1-3H3
InChIKeyGBJPUDRTCFAUOP-UHFFFAOYSA-N
XLogP12.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

16-(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032492
16-(4-tert-butylphenyl)-N-phenyl-N-(2-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032691
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
N-(2-tert-butylphenyl)-16-(4-tert-butylphenyl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033406
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine
CID 156546870
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 156546768
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline (CID 177097061) is N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline is CC(C)(C)c1ccc(N(c2ccccc2)c2cccc(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline?
The InChIKey is GBJPUDRTCFAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N/c1-42(2,3)36-24-26-38(27-25-36)43(37-16-5-4-6-17-37)40-19-11-18-39(34-22-20-30-12-7-9-14-32(30)28-34)41(40)35-23-21-31-13-8-10-15-33(31)29-35/h4-29H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline?
N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline has a molecular weight of 553.75 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 177097061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).