9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole

C33H23N4- — CID 144680715

IUPAC9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C33H23N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22,31H/q-1
InChIKeyOSUVZQARJQGLFR-UHFFFAOYSA-N
MW475.58 g/mol
LogP8.06
Rot. Bonds4

About 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole

9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole (PubChem CID 144680715) has the molecular formula C33H23N4- and a molecular weight of 475.58 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
PubChem CID144680715
Molecular FormulaC33H23N4-
Molecular Weight475.58 g/mol
Exact Mass475.19
IUPAC Name9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C33H23N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22,31H/q-1
InChIKeyOSUVZQARJQGLFR-UHFFFAOYSA-N
XLogP8.06
TPSA43.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
CID 143388767
9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 163638855
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole
CID 145067653
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-[9-[4-(2,4-diphenyl-4,5-dihydropyrimidin-6-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160846516
7-[3-(4,6-diphenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]-2-phenyl-1,2-dihydrobenzo[e][1,3]benzothiazole
CID 145381166

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole (CID 144680715) is 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccccc3)[N-]2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole?
The InChIKey is OSUVZQARJQGLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22,31H/q-1.
What are the key properties of 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole?
9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole has a molecular weight of 475.58 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole is sourced from PubChem (CID 144680715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).