1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole

C46H27N5 — CID 166134637

IUPAC1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2nnnc(-c4ccccc4)c2-c2cccc4c2Cc2ccccc2-4)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C46H27N5/c1-3-12-27(13-4-1)31-22-24-38-42(43-39(47-38)25-23-35-33-18-9-10-21-37(33)48-45(35)43)40(31)46-41(44(49-51-50-46)28-14-5-2-6-15-28)34-20-11-19-32-30-17-8-7-16-29(30)26-36(32)34/h1-25H,26H2
InChIKeyAMSDHFRKYYGPST-UHFFFAOYSA-N
MW649.76 g/mol
LogP9.59
Rot. Bonds4

About 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole

1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole (PubChem CID 166134637) has the molecular formula C46H27N5 and a molecular weight of 649.76 g/mol. Its IUPAC name is 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
PubChem CID166134637
Molecular FormulaC46H27N5
Molecular Weight649.76 g/mol
Exact Mass649.23
IUPAC Name1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2nnnc(-c4ccccc4)c2-c2cccc4c2Cc2ccccc2-4)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C46H27N5/c1-3-12-27(13-4-1)31-22-24-38-42(43-39(47-38)25-23-35-33-18-9-10-21-37(33)48-45(35)43)40(31)46-41(44(49-51-50-46)28-14-5-2-6-15-28)34-20-11-19-32-30-17-8-7-16-29(30)26-36(32)34/h1-25H,26H2
InChIKeyAMSDHFRKYYGPST-UHFFFAOYSA-N
XLogP9.59
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.76
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole?
The IUPAC name of 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole (CID 166134637) is 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2-c2nnnc(-c4ccccc4)c2-c2cccc4c2Cc2ccccc2-4)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole?
The InChIKey is AMSDHFRKYYGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5/c1-3-12-27(13-4-1)31-22-24-38-42(43-39(47-38)25-23-35-33-18-9-10-21-37(33)48-45(35)43)40(31)46-41(44(49-51-50-46)28-14-5-2-6-15-28)34-20-11-19-32-30-17-8-7-16-29(30)26-36(32)34/h1-25H,26H2.
What are the key properties of 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole?
1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole has a molecular weight of 649.76 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 166134637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).