7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

C47H28N4 — CID 170109568

IUPAC7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-13-30(14-3-1)45-48-46(50-47(49-45)39-26-25-38-35-19-7-6-18-34(35)36-21-11-22-37(39)43(36)38)31-15-10-16-32(28-31)51-41-23-9-8-20-40(41)44-33-17-5-4-12-29(33)24-27-42(44)51/h1-28H
InChIKeyNXBUYXPRCSTSRV-UHFFFAOYSA-N
MW648.77 g/mol
LogP11.92
Rot. Bonds4

About 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 170109568) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
PubChem CID170109568
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H28N4/c1-2-13-30(14-3-1)45-48-46(50-47(49-45)39-26-25-38-35-19-7-6-18-34(35)36-21-11-22-37(39)43(36)38)31-15-10-16-32(28-31)51-41-23-9-8-20-40(41)44-33-17-5-4-12-29(33)24-27-42(44)51/h1-28H
InChIKeyNXBUYXPRCSTSRV-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-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158953256
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
23-[3-(4,6-diphenyl-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),3,5,8,10,12,14,16,18(22),19-undecaene
CID 146321372
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-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 118449206
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 167031844
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (CID 170109568) is 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is NXBUYXPRCSTSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-2-13-30(14-3-1)45-48-46(50-47(49-45)39-26-25-38-35-19-7-6-18-34(35)36-21-11-22-37(39)43(36)38)31-15-10-16-32(28-31)51-41-23-9-8-20-40(41)44-33-17-5-4-12-29(33)24-27-42(44)51/h1-28H.
What are the key properties of 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]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 7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 170109568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).