9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole

C41H28N2 — CID 58991797

IUPAC9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole
SMILESCn1c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C41H28N2/c1-42-36-24-23-29(43-37-21-11-9-15-30(37)31-16-10-12-22-38(31)43)25-28(36)26-39(42)41-34-19-7-5-17-32(34)40(27-13-3-2-4-14-27)33-18-6-8-20-35(33)41/h2-26H,1H3
InChIKeySLFBSGPFXDOKPW-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.92
Rot. Bonds3

About 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole

9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole (PubChem CID 58991797) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole.

Molecular Properties

Compound Name9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole
PubChem CID58991797
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole
SMILESCn1c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C41H28N2/c1-42-36-24-23-29(43-37-21-11-9-15-30(37)31-16-10-12-22-38(31)43)25-28(36)26-39(42)41-34-19-7-5-17-32(34)40(27-13-3-2-4-14-27)33-18-6-8-20-35(33)41/h2-26H,1H3
InChIKeySLFBSGPFXDOKPW-UHFFFAOYSA-N
XLogP10.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704

Frequently Asked Questions

What is the IUPAC name of 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole?
The IUPAC name of 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole (CID 58991797) is 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole.
What is the SMILES notation for 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole?
The canonical SMILES for 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole is Cn1c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole?
The InChIKey is SLFBSGPFXDOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-42-36-24-23-29(43-37-21-11-9-15-30(37)31-16-10-12-22-38(31)43)25-28(36)26-39(42)41-34-19-7-5-17-32(34)40(27-13-3-2-4-14-27)33-18-6-8-20-35(33)41/h2-26H,1H3.
What are the key properties of 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole?
9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole has a molecular weight of 548.69 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole is sourced from PubChem (CID 58991797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).