9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

C53H40N4 — CID 177283294

IUPAC9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)cc4)c23)cc1
InChIInChI=1S/C53H40N4/c1-53(2,3)41-33-31-37(32-34-41)43-23-13-20-38-19-12-22-42(48(38)43)36-27-29-40(30-28-36)51-54-50(39-17-8-5-9-18-39)55-52(56-51)57-46-25-11-10-21-45(46)49-44(24-14-26-47(49)57)35-15-6-4-7-16-35/h4-34H,1-3H3
InChIKeyWUCYTEJGUHYNGV-UHFFFAOYSA-N
MW732.93 g/mol
LogP13.75
Rot. Bonds6

About 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 177283294) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
PubChem CID177283294
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC Name9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)cc4)c23)cc1
InChIInChI=1S/C53H40N4/c1-53(2,3)41-33-31-37(32-34-41)43-23-13-20-38-19-12-22-42(48(38)43)36-27-29-40(30-28-36)51-54-50(39-17-8-5-9-18-39)55-52(56-51)57-46-25-11-10-21-45(46)49-44(24-14-26-47(49)57)35-15-6-4-7-16-35/h4-34H,1-3H3
InChIKeyWUCYTEJGUHYNGV-UHFFFAOYSA-N
XLogP13.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
3-[9-(4-tert-butylphenyl)carbazol-4-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;4-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;4-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]naphthalen-2-yl]-9-phenylcarbazole;4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 158468297
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
9-[4-phenanthren-9-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177283383
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 177283294) is 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is CC(C)(C)c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)cc4)c23)cc1.
What is the InChIKey of 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The InChIKey is WUCYTEJGUHYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4/c1-53(2,3)41-33-31-37(32-34-41)43-23-13-20-38-19-12-22-42(48(38)43)36-27-29-40(30-28-36)51-54-50(39-17-8-5-9-18-39)55-52(56-51)57-46-25-11-10-21-45(46)49-44(24-14-26-47(49)57)35-15-6-4-7-16-35/h4-34H,1-3H3.
What are the key properties of 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole has a molecular weight of 732.93 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 177283294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).