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

C45H30N5- — CID 143388767

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)[N-]2)cc1
InChIInChI=1S/C45H30N5/c1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-39-18-8-4-14-35(39)36-15-5-9-19-40(36)49)48-45(47-43)32-24-28-34(29-25-32)50-41-20-10-6-16-37(41)38-17-7-11-21-42(38)50/h1-29,44H/q-1
InChIKeyPIZRZIXLYIYZIJ-UHFFFAOYSA-N
MW640.77 g/mol
LogP11.16
Rot. Bonds5

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

9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole (PubChem CID 143388767) has the molecular formula C45H30N5- and a molecular weight of 640.77 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
PubChem CID143388767
Molecular FormulaC45H30N5-
Molecular Weight640.77 g/mol
Exact Mass640.25
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)[N-]2)cc1
InChIInChI=1S/C45H30N5/c1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-39-18-8-4-14-35(39)36-15-5-9-19-40(36)49)48-45(47-43)32-24-28-34(29-25-32)50-41-20-10-6-16-37(41)38-17-7-11-21-42(38)50/h1-29,44H/q-1
InChIKeyPIZRZIXLYIYZIJ-UHFFFAOYSA-N
XLogP11.16
TPSA48.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.77
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
CID 144680715
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
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
2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145327198
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
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-chrysen-3-yl-4-dibenzofuran-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 163721047
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole (CID 143388767) is 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)=NC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)[N-]2)cc1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole?
The InChIKey is PIZRZIXLYIYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N5/c1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-39-18-8-4-14-35(39)36-15-5-9-19-40(36)49)48-45(47-43)32-24-28-34(29-25-32)50-41-20-10-6-16-37(41)38-17-7-11-21-42(38)50/h1-29,44H/q-1.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole has a molecular weight of 640.77 g/mol, XLogP of 11.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole is sourced from PubChem (CID 143388767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).