3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline

C53H34N4 — CID 58068799

IUPAC3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cn5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nnc5c5ccccc45)cc32)cc1
InChIInChI=1S/C53H34N4/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)47-24-12-9-20-41(47)42-32-29-36(33-48(42)53)46-34-56-51(54-55-52(56)45-23-8-7-19-40(45)46)35-27-30-39(31-28-35)57-49-25-13-10-21-43(49)44-22-11-14-26-50(44)57/h1-34H
InChIKeyZUMGAPGNKFATFY-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.68
Rot. Bonds5

About 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline

3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 58068799) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
PubChem CID58068799
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cn5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nnc5c5ccccc45)cc32)cc1
InChIInChI=1S/C53H34N4/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)47-24-12-9-20-41(47)42-32-29-36(33-48(42)53)46-34-56-51(54-55-52(56)45-23-8-7-19-40(45)46)35-27-30-39(31-28-35)57-49-25-13-10-21-43(49)44-22-11-14-26-50(44)57/h1-34H
InChIKeyZUMGAPGNKFATFY-UHFFFAOYSA-N
XLogP12.68
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline with MolForge

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Related Compounds

3-(4-carbazol-9-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068557
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068624
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(4-carbazol-9-ylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068479
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
CID 59307089
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
CID 137413800

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline (CID 58068799) is 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cn5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nnc5c5ccccc45)cc32)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline?
The InChIKey is ZUMGAPGNKFATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)47-24-12-9-20-41(47)42-32-29-36(33-48(42)53)46-34-56-51(54-55-52(56)45-23-8-7-19-40(45)46)35-27-30-39(31-28-35)57-49-25-13-10-21-43(49)44-22-11-14-26-50(44)57/h1-34H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline?
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 726.88 g/mol, XLogP of 12.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 58068799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).