N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline

C46H33N5 — CID 118547581

IUPACN-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
SMILESCc1nc(-c2ccccc2)nc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c32)n1
InChIInChI=1S/C46H33N5/c1-32-47-45(36-16-7-3-8-17-36)49-46(48-32)51-43-23-12-11-20-41(43)42-22-13-21-40(44(42)51)35-26-30-39(31-27-35)50(37-18-9-4-10-19-37)38-28-24-34(25-29-38)33-14-5-2-6-15-33/h2-31H,1H3
InChIKeyUJKQNXDEDMIOEC-UHFFFAOYSA-N
MW655.81 g/mol
LogP11.75
Rot. Bonds7

About N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline

N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline (PubChem CID 118547581) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
PubChem CID118547581
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC NameN-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
SMILESCc1nc(-c2ccccc2)nc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c32)n1
InChIInChI=1S/C46H33N5/c1-32-47-45(36-16-7-3-8-17-36)49-46(48-32)51-43-23-12-11-20-41(43)42-22-13-21-40(44(42)51)35-26-30-39(31-27-35)50(37-18-9-4-10-19-37)38-28-24-34(25-29-38)33-14-5-2-6-15-33/h2-31H,1H3
InChIKeyUJKQNXDEDMIOEC-UHFFFAOYSA-N
XLogP11.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-2-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-4-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 159938048
N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145327435
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 162064311
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
CID 126631752
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
CID 134236548
4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
CID 118550539
9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
CID 134236546
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
CID 170204693

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline (CID 118547581) is N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline is Cc1nc(-c2ccccc2)nc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c32)n1.
What is the InChIKey of N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is UJKQNXDEDMIOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-32-47-45(36-16-7-3-8-17-36)49-46(48-32)51-43-23-12-11-20-41(43)42-22-13-21-40(44(42)51)35-26-30-39(31-27-35)50(37-18-9-4-10-19-37)38-28-24-34(25-29-38)33-14-5-2-6-15-33/h2-31H,1H3.
What are the key properties of N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline?
N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 655.81 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118547581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).