9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole

C43H28N2 — CID 58435369

IUPAC9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H28N2/c1-3-19-37-31(13-1)32-14-2-4-20-38(32)43(37)28-25-29(44-39-21-9-5-15-33(39)34-16-6-10-22-40(34)44)27-30(26-28)45-41-23-11-7-17-35(41)36-18-8-12-24-42(36)45/h1-27,43H
InChIKeyDCLLFHGJTPXTFC-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.04
Rot. Bonds3

About 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole (PubChem CID 58435369) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
PubChem CID58435369
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H28N2/c1-3-19-37-31(13-1)32-14-2-4-20-38(32)43(37)28-25-29(44-39-21-9-5-15-33(39)34-16-6-10-22-40(34)44)27-30(26-28)45-41-23-11-7-17-35(41)36-18-8-12-24-42(36)45/h1-27,43H
InChIKeyDCLLFHGJTPXTFC-UHFFFAOYSA-N
XLogP11.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole (CID 58435369) is 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole is c1ccc2c(c1)-c1ccccc1C2c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole?
The InChIKey is DCLLFHGJTPXTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-3-19-37-31(13-1)32-14-2-4-20-38(32)43(37)28-25-29(44-39-21-9-5-15-33(39)34-16-6-10-22-40(34)44)27-30(26-28)45-41-23-11-7-17-35(41)36-18-8-12-24-42(36)45/h1-27,43H.
What are the key properties of 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole has a molecular weight of 572.71 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole is sourced from PubChem (CID 58435369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).