9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine

C57H40N6 — CID 167382094

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C57H40N6/c58-46-29-31-52-50(35-46)51-36-47(59)30-32-53(51)63(52)54-48(41-25-21-39(22-26-41)37-13-5-1-6-14-37)33-45(34-49(54)42-27-23-40(24-28-42)38-15-7-2-8-16-38)57-61-55(43-17-9-3-10-18-43)60-56(62-57)44-19-11-4-12-20-44/h1-36H,58-59H2
InChIKeyODOSJWVQVRKNQG-UHFFFAOYSA-N
MW808.99 g/mol
LogP13.80
Rot. Bonds8

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine (PubChem CID 167382094) has the molecular formula C57H40N6 and a molecular weight of 808.99 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine
PubChem CID167382094
Molecular FormulaC57H40N6
Molecular Weight808.99 g/mol
Exact Mass808.33
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C57H40N6/c58-46-29-31-52-50(35-46)51-36-47(59)30-32-53(51)63(52)54-48(41-25-21-39(22-26-41)37-13-5-1-6-14-37)33-45(34-49(54)42-27-23-40(24-28-42)38-15-7-2-8-16-38)57-61-55(43-17-9-3-10-18-43)60-56(62-57)44-19-11-4-12-20-44/h1-36H,58-59H2
InChIKeyODOSJWVQVRKNQG-UHFFFAOYSA-N
XLogP13.80
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 513.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138701287
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
4-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155446819
11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
CID 146280406
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 164948626

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine (CID 167382094) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine is Nc1ccc2c(c1)c1cc(N)ccc1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine?
The InChIKey is ODOSJWVQVRKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N6/c58-46-29-31-52-50(35-46)51-36-47(59)30-32-53(51)63(52)54-48(41-25-21-39(22-26-41)37-13-5-1-6-14-37)33-45(34-49(54)42-27-23-40(24-28-42)38-15-7-2-8-16-38)57-61-55(43-17-9-3-10-18-43)60-56(62-57)44-19-11-4-12-20-44/h1-36H,58-59H2.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine has a molecular weight of 808.99 g/mol, XLogP of 13.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 167382094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).