9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole

C40H25N5 — CID 176647122

IUPAC9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C40H25N5/c1-3-19-31-25(13-1)26-14-2-4-20-32(26)37(31)38-41-39(44-33-21-9-5-15-27(33)28-16-6-10-22-34(28)44)43-40(42-38)45-35-23-11-7-17-29(35)30-18-8-12-24-36(30)45/h1-24,37H
InChIKeySIAAPDOHPLTDAT-UHFFFAOYSA-N
MW575.68 g/mol
LogP9.23
Rot. Bonds3

About 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 176647122) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID176647122
Molecular FormulaC40H25N5
Molecular Weight575.68 g/mol
Exact Mass575.21
IUPAC Name9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C40H25N5/c1-3-19-31-25(13-1)26-14-2-4-20-32(26)37(31)38-41-39(44-33-21-9-5-15-27(33)28-16-6-10-22-34(28)44)43-40(42-38)45-35-23-11-7-17-29(35)30-18-8-12-24-36(30)45/h1-24,37H
InChIKeySIAAPDOHPLTDAT-UHFFFAOYSA-N
XLogP9.23
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene
CID 172548367
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
14-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-6-(14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 58663736
3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
CID 118318915
28-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1(20),2,4,6,8,10,12,14,16,18,21(29),22,24,26,30-pentadecaene
CID 164748084
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 176647122) is 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)-c1ccccc1C2c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SIAAPDOHPLTDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-3-19-31-25(13-1)26-14-2-4-20-32(26)37(31)38-41-39(44-33-21-9-5-15-27(33)28-16-6-10-22-34(28)44)43-40(42-38)45-35-23-11-7-17-29(35)30-18-8-12-24-36(30)45/h1-24,37H.
What are the key properties of 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 575.68 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176647122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).