4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline

C49H37N3 — CID 67563877

IUPAC4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(N)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c1
InChIInChI=1S/C49H37N3/c1-34-10-9-13-43(32-34)51(40-11-3-2-4-12-40)41-27-22-36(23-28-41)35-18-20-38(21-19-35)47-33-39(50)26-31-44(47)37-24-29-42(30-25-37)52-48-16-7-5-14-45(48)46-15-6-8-17-49(46)52/h2-33H,50H2,1H3
InChIKeyNOODBVRLVSDISZ-UHFFFAOYSA-N
MW667.86 g/mol
LogP13.15
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline

4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 67563877) has the molecular formula C49H37N3 and a molecular weight of 667.86 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID67563877
Molecular FormulaC49H37N3
Molecular Weight667.86 g/mol
Exact Mass667.30
IUPAC Name4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(N)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c1
InChIInChI=1S/C49H37N3/c1-34-10-9-13-43(32-34)51(40-11-3-2-4-12-40)41-27-22-36(23-28-41)35-18-20-38(21-19-35)47-33-39(50)26-31-44(47)37-24-29-42(30-25-37)52-48-16-7-5-14-45(48)46-15-6-8-17-49(46)52/h2-33H,50H2,1H3
InChIKeyNOODBVRLVSDISZ-UHFFFAOYSA-N
XLogP13.15
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170092188
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 159634715

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline (CID 67563877) is 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(N)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is NOODBVRLVSDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3/c1-34-10-9-13-43(32-34)51(40-11-3-2-4-12-40)41-27-22-36(23-28-41)35-18-20-38(21-19-35)47-33-39(50)26-31-44(47)37-24-29-42(30-25-37)52-48-16-7-5-14-45(48)46-15-6-8-17-49(46)52/h2-33H,50H2,1H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline?
4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 667.86 g/mol, XLogP of 13.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 67563877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).