2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline

C36H25N3 — CID 176607684

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
SMILESNc1c(-c2ccccc2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C36H25N3/c37-36-26(24-11-2-1-3-12-24)16-10-20-35(36)39-33-19-9-6-15-29(33)30-23-25(21-22-34(30)39)38-31-17-7-4-13-27(31)28-14-5-8-18-32(28)38/h1-23H,37H2
InChIKeyOPZRXSTUOVYHLR-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.13
Rot. Bonds3

About 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline

2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline (PubChem CID 176607684) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
PubChem CID176607684
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
SMILESNc1c(-c2ccccc2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C36H25N3/c37-36-26(24-11-2-1-3-12-24)16-10-20-35(36)39-33-19-9-6-15-29(33)30-23-25(21-22-34(30)39)38-31-17-7-4-13-27(31)28-14-5-8-18-32(28)38/h1-23H,37H2
InChIKeyOPZRXSTUOVYHLR-UHFFFAOYSA-N
XLogP9.13
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.13
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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-(2-phenylphenyl)-3-[3-[9-(2-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]carbazole
CID 71232640
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline (CID 176607684) is 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline is Nc1c(-c2ccccc2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline?
The InChIKey is OPZRXSTUOVYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c37-36-26(24-11-2-1-3-12-24)16-10-20-35(36)39-33-19-9-6-15-29(33)30-23-25(21-22-34(30)39)38-31-17-7-4-13-27(31)28-14-5-8-18-32(28)38/h1-23H,37H2.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline?
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline has a molecular weight of 499.62 g/mol, XLogP of 9.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline is sourced from PubChem (CID 176607684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).