4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline

C51H35N5 — CID 121422435

IUPAC4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C51H35N5/c1-6-18-37(19-7-1)49-52-50(38-20-8-2-9-21-38)54-51(53-49)44-29-17-31-46-48(44)47-43(28-16-30-45(47)56(46)41-26-14-5-15-27-41)36-32-34-42(35-33-36)55(39-22-10-3-11-23-39)40-24-12-4-13-25-40/h1-35H
InChIKeyXEZMOVCVEVWXSA-UHFFFAOYSA-N
MW717.88 g/mol
LogP13.11
Rot. Bonds8

About 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline (PubChem CID 121422435) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
PubChem CID121422435
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C51H35N5/c1-6-18-37(19-7-1)49-52-50(38-20-8-2-9-21-38)54-51(53-49)44-29-17-31-46-48(44)47-43(28-16-30-45(47)56(46)41-26-14-5-15-27-41)36-32-34-42(35-33-36)55(39-22-10-3-11-23-39)40-24-12-4-13-25-40/h1-35H
InChIKeyXEZMOVCVEVWXSA-UHFFFAOYSA-N
XLogP13.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
CID 167363399
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline
CID 129265373
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 159875577
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171437944
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline (CID 121422435) is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline?
The InChIKey is XEZMOVCVEVWXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-6-18-37(19-7-1)49-52-50(38-20-8-2-9-21-38)54-51(53-49)44-29-17-31-46-48(44)47-43(28-16-30-45(47)56(46)41-26-14-5-15-27-41)36-32-34-42(35-33-36)55(39-22-10-3-11-23-39)40-24-12-4-13-25-40/h1-35H.
What are the key properties of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline?
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline has a molecular weight of 717.88 g/mol, XLogP of 13.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 121422435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).