9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole

C31H19ClN4 — CID 155018513

IUPAC9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESClc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C31H19ClN4/c32-31-34-29(33-30(35-31)26-13-7-9-20-8-1-2-10-23(20)26)21-16-18-22(19-17-21)36-27-14-5-3-11-24(27)25-12-4-6-15-28(25)36/h1-19H
InChIKeySCLUAQZXCHAYDA-UHFFFAOYSA-N
MW482.97 g/mol
LogP8.11
Rot. Bonds3

About 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole

9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155018513) has the molecular formula C31H19ClN4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID155018513
Molecular FormulaC31H19ClN4
Molecular Weight482.97 g/mol
Exact Mass482.13
IUPAC Name9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESClc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C31H19ClN4/c32-31-34-29(33-30(35-31)26-13-7-9-20-8-1-2-10-23(20)26)21-16-18-22(19-17-21)36-27-14-5-3-11-24(27)25-12-4-6-15-28(25)36/h1-19H
InChIKeySCLUAQZXCHAYDA-UHFFFAOYSA-N
XLogP8.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[5-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole
CID 170111086
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole
CID 165070096
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051
12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449213

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155018513) is 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole is Clc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is SCLUAQZXCHAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClN4/c32-31-34-29(33-30(35-31)26-13-7-9-20-8-1-2-10-23(20)26)21-16-18-22(19-17-21)36-27-14-5-3-11-24(27)25-12-4-6-15-28(25)36/h1-19H.
What are the key properties of 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 482.97 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).