7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole

C47H32N4 — CID 137214924

IUPAC7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4c5cc(-c6ccc7ccc(-c8ccccc8)cc7c6)ccc5ccc43)=N2)cc1
InChIInChI=1S/C47H32N4/c1-4-12-31(13-5-1)36-23-20-32-21-24-37(29-39(32)28-36)38-25-22-33-26-27-43-44(41(33)30-38)40-18-10-11-19-42(40)51(43)47-49-45(34-14-6-2-7-15-34)48-46(50-47)35-16-8-3-9-17-35/h1-30,45H,(H,48,49,50)
InChIKeyNKBVAXAEOFDUCK-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.39
Rot. Bonds4

About 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole

7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 137214924) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID137214924
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4c5cc(-c6ccc7ccc(-c8ccccc8)cc7c6)ccc5ccc43)=N2)cc1
InChIInChI=1S/C47H32N4/c1-4-12-31(13-5-1)36-23-20-32-21-24-37(29-39(32)28-36)38-25-22-33-26-27-43-44(41(33)30-38)40-18-10-11-19-42(40)51(43)47-49-45(34-14-6-2-7-15-34)48-46(50-47)35-16-8-3-9-17-35/h1-30,45H,(H,48,49,50)
InChIKeyNKBVAXAEOFDUCK-UHFFFAOYSA-N
XLogP11.39
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170138787
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 167154477
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 167154693
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
7-[5-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-3,4,11,11a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole
CID 139569838
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032343
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole (CID 137214924) is 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4c5cc(-c6ccc7ccc(-c8ccccc8)cc7c6)ccc5ccc43)=N2)cc1.
What is the InChIKey of 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is NKBVAXAEOFDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-4-12-31(13-5-1)36-23-20-32-21-24-37(29-39(32)28-36)38-25-22-33-26-27-43-44(41(33)30-38)40-18-10-11-19-42(40)51(43)47-49-45(34-14-6-2-7-15-34)48-46(50-47)35-16-8-3-9-17-35/h1-30,45H,(H,48,49,50).
What are the key properties of 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole?
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 652.80 g/mol, XLogP of 11.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 137214924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).