11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole

C47H28N4 — CID 170109509

IUPAC11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)41-28-27-39-35-16-7-6-15-34(35)37-18-10-19-38(41)43(37)39)31-21-24-32(25-22-31)51-42-20-9-8-17-36(42)40-26-23-29-11-4-5-14-33(29)44(40)51/h1-28H
InChIKeyVGOSZQRUHPTXAF-UHFFFAOYSA-N
MW648.77 g/mol
LogP11.92
Rot. Bonds4

About 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole

11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole (PubChem CID 170109509) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
PubChem CID170109509
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)41-28-27-39-35-16-7-6-15-34(35)37-18-10-19-38(41)43(37)39)31-21-24-32(25-22-31)51-42-20-9-8-17-36(42)40-26-23-29-11-4-5-14-33(29)44(40)51/h1-28H
InChIKeyVGOSZQRUHPTXAF-UHFFFAOYSA-N
XLogP11.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 118301005
11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]benzo[a]carbazole
CID 170183112
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
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
CID 134398598
11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole
CID 166915748
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 139555597
9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304406
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole?
The IUPAC name of 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole (CID 170109509) is 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole?
The InChIKey is VGOSZQRUHPTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)41-28-27-39-35-16-7-6-15-34(35)37-18-10-19-38(41)43(37)39)31-21-24-32(25-22-31)51-42-20-9-8-17-36(42)40-26-23-29-11-4-5-14-33(29)44(40)51/h1-28H.
What are the key properties of 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole?
11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole has a molecular weight of 648.77 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole is sourced from PubChem (CID 170109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).