9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole

C54H36N3+ — CID 123866842

IUPAC9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5[n+]4ccccc4)ccc32)cc1
InChIInChI=1S/C54H36N3/c1-4-14-40(15-5-1)56-50-20-10-8-18-42(50)48-34-38(24-28-52(48)56)36-22-26-44-46(32-36)47-33-37(23-27-45(47)54(44)55-30-12-3-13-31-55)39-25-29-53-49(35-39)43-19-9-11-21-51(43)57(53)41-16-6-2-7-17-41/h1-35,54H/q+1
InChIKeyYZNXHXWTTIFHAN-UHFFFAOYSA-N
MW726.90 g/mol
LogP13.12
Rot. Bonds5

About 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole

9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole (PubChem CID 123866842) has the molecular formula C54H36N3+ and a molecular weight of 726.90 g/mol. Its IUPAC name is 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole
PubChem CID123866842
Molecular FormulaC54H36N3+
Molecular Weight726.90 g/mol
Exact Mass726.29
IUPAC Name9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5[n+]4ccccc4)ccc32)cc1
InChIInChI=1S/C54H36N3/c1-4-14-40(15-5-1)56-50-20-10-8-18-42(50)48-34-38(24-28-52(48)56)36-22-26-44-46(32-36)47-33-37(23-27-45(47)54(44)55-30-12-3-13-31-55)39-25-29-53-49(35-39)43-19-9-11-21-51(43)57(53)41-16-6-2-7-17-41/h1-35,54H/q+1
InChIKeyYZNXHXWTTIFHAN-UHFFFAOYSA-N
XLogP13.12
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.90
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole (CID 123866842) is 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5[n+]4ccccc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole?
The InChIKey is YZNXHXWTTIFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N3/c1-4-14-40(15-5-1)56-50-20-10-8-18-42(50)48-34-38(24-28-52(48)56)36-22-26-44-46(32-36)47-33-37(23-27-45(47)54(44)55-30-12-3-13-31-55)39-25-29-53-49(35-39)43-19-9-11-21-51(43)57(53)41-16-6-2-7-17-41/h1-35,54H/q+1.
What are the key properties of 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole?
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole has a molecular weight of 726.90 g/mol, XLogP of 13.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9-pyridin-1-ium-1-yl-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 123866842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).