9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole

C111H80N9+3 — CID 162224584

IUPAC9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=NCC(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=N[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)=C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C39H28N3.C33H24N3/c1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)42(39(40-37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)40-42(39(37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-3-11-24(12-4-1)32-23-34-33(25-13-5-2-6-14-25)36(32)27-21-19-26(20-22-27)35-30-17-9-7-15-28(30)29-16-8-10-18-31(29)35/h2*1-27,37H;1-22H,23H2/q3*+1
InChIKeyYIJJPKSARNJDIY-UHFFFAOYSA-N
MW1539.92 g/mol
LogP25.61
Rot. Bonds14

About 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole

9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole (PubChem CID 162224584) has the molecular formula C111H80N9+3 and a molecular weight of 1539.92 g/mol. Its IUPAC name is 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole
PubChem CID162224584
Molecular FormulaC111H80N9+3
Molecular Weight1539.92 g/mol
Exact Mass1538.65
IUPAC Name9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=NCC(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=N[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)=C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C39H28N3.C33H24N3/c1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)42(39(40-37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)40-42(39(37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-3-11-24(12-4-1)32-23-34-33(25-13-5-2-6-14-25)36(32)27-21-19-26(20-22-27)35-30-17-9-7-15-28(30)29-16-8-10-18-31(29)35/h2*1-27,37H;1-22H,23H2/q3*+1
InChIKeyYIJJPKSARNJDIY-UHFFFAOYSA-N
XLogP25.61
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001539.92
LogP ≤ 525.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole
CID 157159639
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,3-diazet-1-ium-1-yl)phenyl]carbazole
CID 163710926
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylcyclohexa-1,3-dien-1-yl]phenyl]carbazole
CID 58667656
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
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
CID 144680715
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole
CID 146522545

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole (CID 162224584) is 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole is c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=NCC(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=N[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)=C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole?
The InChIKey is YIJJPKSARNJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H28N3.C33H24N3/c1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)42(39(40-37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)40-42(39(37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-3-11-24(12-4-1)32-23-34-33(25-13-5-2-6-14-25)36(32)27-21-19-26(20-22-27)35-30-17-9-7-15-28(30)29-16-8-10-18-31(29)35/h2*1-27,37H;1-22H,23H2/q3*+1.
What are the key properties of 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole?
9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole has a molecular weight of 1539.92 g/mol, XLogP of 25.61, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[4-(3,4,5-triphenyl-4H-pyrazol-1-ium-1-yl)phenyl]carbazole is sourced from PubChem (CID 162224584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).