N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline

C48H38N2 — CID 140574006

IUPACN-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(Nc2ccc(-c3ccc(-c4cccc5[nH]c6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C48H38N2/c1-48(2,3)43-28-23-37-29-35-9-4-5-10-36(35)30-42(37)46(43)34-21-26-39(27-22-34)49-38-24-19-32(20-25-38)31-15-17-33(18-16-31)40-12-8-14-45-47(40)41-11-6-7-13-44(41)50-45/h4-30,49-50H,1-3H3
InChIKeySZUYCEHMFVDNBE-UHFFFAOYSA-N
MW642.85 g/mol
LogP13.67
Rot. Bonds5

About N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline

N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline (PubChem CID 140574006) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline
PubChem CID140574006
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC NameN-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(Nc2ccc(-c3ccc(-c4cccc5[nH]c6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C48H38N2/c1-48(2,3)43-28-23-37-29-35-9-4-5-10-36(35)30-42(37)46(43)34-21-26-39(27-22-34)49-38-24-19-32(20-25-38)31-15-17-33(18-16-31)40-12-8-14-45-47(40)41-11-6-7-13-44(41)50-45/h4-30,49-50H,1-3H3
InChIKeySZUYCEHMFVDNBE-UHFFFAOYSA-N
XLogP13.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 513.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1-(4-phenylphenyl)anthracene
CID 154099301
4-N-[4-(2-tert-butylanthracen-1-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 87488226
ethane;4-phenyl-9H-carbazole
CID 168948755
4-phenyl-9H-carbazole
CID 22990274
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1-(3-tert-butylphenyl)-5,11-dihydroindolo[3,2-b]carbazole
CID 168873272
3,4-ditert-butyl-9H-carbazole
CID 141464805
1,2,3-tris(3,4-ditert-butylphenyl)anthracene
CID 152631065
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
23-azahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),14,16(21),17,19-undecaene
CID 626012

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline?
The IUPAC name of N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline (CID 140574006) is N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline?
The canonical SMILES for N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline is CC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(Nc2ccc(-c3ccc(-c4cccc5[nH]c6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline?
The InChIKey is SZUYCEHMFVDNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-48(2,3)43-28-23-37-29-35-9-4-5-10-36(35)30-42(37)46(43)34-21-26-39(27-22-34)49-38-24-19-32(20-25-38)31-15-17-33(18-16-31)40-12-8-14-45-47(40)41-11-6-7-13-44(41)50-45/h4-30,49-50H,1-3H3.
What are the key properties of N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline?
N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline has a molecular weight of 642.85 g/mol, XLogP of 13.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 140574006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).