3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C52H37N5 — CID 118004609

IUPAC3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCN1C(c2ccccc2)=NC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=NC1c1ccccc1
InChIInChI=1S/C52H37N5/c1-55-51(36-15-5-2-6-16-36)53-50(54-52(55)37-17-7-3-8-18-37)35-25-29-41(30-26-35)57-47-24-14-12-22-43(47)45-34-39(28-32-49(45)57)38-27-31-48-44(33-38)42-21-11-13-23-46(42)56(48)40-19-9-4-10-20-40/h2-34,51H,1H3
InChIKeyXEZGWKFIDJZQIC-UHFFFAOYSA-N
MW731.90 g/mol
LogP12.39
Rot. Bonds6

About 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118004609) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID118004609
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCN1C(c2ccccc2)=NC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=NC1c1ccccc1
InChIInChI=1S/C52H37N5/c1-55-51(36-15-5-2-6-16-36)53-50(54-52(55)37-17-7-3-8-18-37)35-25-29-41(30-26-35)57-47-24-14-12-22-43(47)45-34-39(28-32-49(45)57)38-27-31-48-44(33-38)42-21-11-13-23-46(42)56(48)40-19-9-4-10-20-40/h2-34,51H,1H3
InChIKeyXEZGWKFIDJZQIC-UHFFFAOYSA-N
XLogP12.39
TPSA37.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)thieno[2,3-b]thiophen-2-yl]-3,9-diphenylcarbazole
CID 129022069
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 145092783
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228656
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole
CID 146339357
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
2-[9-[4-(2,4-diphenyl-4,5-dihydropyrimidin-6-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160846516
16-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 145110153

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 118004609) is 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is CN1C(c2ccccc2)=NC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=NC1c1ccccc1.
What is the InChIKey of 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is XEZGWKFIDJZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-55-51(36-15-5-2-6-16-36)53-50(54-52(55)37-17-7-3-8-18-37)35-25-29-41(30-26-35)57-47-24-14-12-22-43(47)45-34-39(28-32-49(45)57)38-27-31-48-44(33-38)42-21-11-13-23-46(42)56(48)40-19-9-4-10-20-40/h2-34,51H,1H3.
What are the key properties of 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 731.90 g/mol, XLogP of 12.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118004609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).