3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C45H25FN6 — CID 176879960

IUPAC3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESFc1ccc2c3ccccc3n(-c3nc(-c4cccc5c6cccc7c8ccccc8n(c45)c76)nc(-n4c5ccccc5c5ccccc54)n3)c2c1
InChIInChI=1S/C45H25FN6/c46-26-23-24-31-29-13-3-7-21-38(29)51(40(31)25-26)45-48-43(47-44(49-45)50-36-19-5-1-11-27(36)28-12-2-6-20-37(28)50)35-18-10-17-34-33-16-9-15-32-30-14-4-8-22-39(30)52(41(32)33)42(34)35/h1-25H
InChIKeyWMUJNUJWHCJCIG-UHFFFAOYSA-N
MW668.74 g/mol
LogP11.02
Rot. Bonds3

About 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 176879960) has the molecular formula C45H25FN6 and a molecular weight of 668.74 g/mol. Its IUPAC name is 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID176879960
Molecular FormulaC45H25FN6
Molecular Weight668.74 g/mol
Exact Mass668.21
IUPAC Name3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESFc1ccc2c3ccccc3n(-c3nc(-c4cccc5c6cccc7c8ccccc8n(c45)c76)nc(-n4c5ccccc5c5ccccc54)n3)c2c1
InChIInChI=1S/C45H25FN6/c46-26-23-24-31-29-13-3-7-21-38(29)51(40(31)25-26)45-48-43(47-44(49-45)50-36-19-5-1-11-27(36)28-12-2-6-20-37(28)50)35-18-10-17-34-33-16-9-15-32-30-14-4-8-22-39(30)52(41(32)33)42(34)35/h1-25H
InChIKeyWMUJNUJWHCJCIG-UHFFFAOYSA-N
XLogP11.02
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.74
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176879941
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene
CID 168811690
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 171748625
24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-20,22,29-triazaoctacyclo[18.13.1.02,7.08,13.014,19.021,29.023,28.030,34]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,21,23,25,27,30,32-hexadecaene
CID 168811097
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176879945
9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742480
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 177101754
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
10-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 171748647

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 176879960) is 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is Fc1ccc2c3ccccc3n(-c3nc(-c4cccc5c6cccc7c8ccccc8n(c45)c76)nc(-n4c5ccccc5c5ccccc54)n3)c2c1.
What is the InChIKey of 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is WMUJNUJWHCJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25FN6/c46-26-23-24-31-29-13-3-7-21-38(29)51(40(31)25-26)45-48-43(47-44(49-45)50-36-19-5-1-11-27(36)28-12-2-6-20-37(28)50)35-18-10-17-34-33-16-9-15-32-30-14-4-8-22-39(30)52(41(32)33)42(34)35/h1-25H.
What are the key properties of 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 668.74 g/mol, XLogP of 11.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 176879960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).