9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole

C47H28N4 — CID 170109697

IUPAC9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3cccc4c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(31-26-27-33-37-20-8-14-29-15-9-21-38(44(29)37)40(33)28-31)50-47(49-45)39-22-10-19-34-32(39)18-11-25-43(34)51-41-23-6-4-16-35(41)36-17-5-7-24-42(36)51/h1-28H
InChIKeyUNZLLBKUCXQPPF-UHFFFAOYSA-N
MW648.77 g/mol
LogP11.92
Rot. Bonds4

About 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole

9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole (PubChem CID 170109697) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
PubChem CID170109697
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3cccc4c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(31-26-27-33-37-20-8-14-29-15-9-21-38(44(29)37)40(33)28-31)50-47(49-45)39-22-10-19-34-32(39)18-11-25-43(34)51-41-23-6-4-16-35(41)36-17-5-7-24-42(36)51/h1-28H
InChIKeyUNZLLBKUCXQPPF-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

9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109738
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
9-[2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163948127
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 161062041
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616
10-[2-[4-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-23-[4-[4-[2-[23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-10-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 159223475
9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole?
The IUPAC name of 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole (CID 170109697) is 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3cccc4c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole?
The InChIKey is UNZLLBKUCXQPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-2-12-30(13-3-1)45-48-46(31-26-27-33-37-20-8-14-29-15-9-21-38(44(29)37)40(33)28-31)50-47(49-45)39-22-10-19-34-32(39)18-11-25-43(34)51-41-23-6-4-16-35(41)36-17-5-7-24-42(36)51/h1-28H.
What are the key properties of 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole?
9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]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 9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole is sourced from PubChem (CID 170109697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).