2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one

C44H28N4O — CID 165167468

IUPAC2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccccc2)nc2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cn12
InChIInChI=1S/C44H28N4O/c49-44-46-43(28-11-3-1-4-12-28)45-41-24-21-31(27-47(41)44)42-35-17-8-7-15-33(35)37-25-29(19-22-36(37)42)30-20-23-40-38(26-30)34-16-9-10-18-39(34)48(40)32-13-5-2-6-14-32/h1-27,42H
InChIKeyPQBOYLIFHQWZLY-UHFFFAOYSA-N
MW628.74 g/mol
LogP9.68
Rot. Bonds4

About 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one

2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 165167468) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID165167468
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccccc2)nc2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cn12
InChIInChI=1S/C44H28N4O/c49-44-46-43(28-11-3-1-4-12-28)45-41-24-21-31(27-47(41)44)42-35-17-8-7-15-33(35)37-25-29(19-22-36(37)42)30-20-23-40-38(26-30)34-16-9-10-18-39(34)48(40)32-13-5-2-6-14-32/h1-27,42H
InChIKeyPQBOYLIFHQWZLY-UHFFFAOYSA-N
XLogP9.68
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 144782080
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-[4-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165151703

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one (CID 165167468) is 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one is O=c1nc(-c2ccccc2)nc2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cn12.
What is the InChIKey of 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is PQBOYLIFHQWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c49-44-46-43(28-11-3-1-4-12-28)45-41-24-21-31(27-47(41)44)42-35-17-8-7-15-33(35)37-25-29(19-22-36(37)42)30-20-23-40-38(26-30)34-16-9-10-18-39(34)48(40)32-13-5-2-6-14-32/h1-27,42H.
What are the key properties of 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one?
2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 628.74 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 165167468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).