3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole

C49H33NO — CID 144605224

IUPAC3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=CC2=C(CC1)Cc1ccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c3)cc12
InChIInChI=1S/C49H33NO/c1-2-12-39(13-3-1)50-46-16-7-6-15-41(46)43-28-34(19-22-47(43)50)36-21-24-49-45(30-36)44-29-35(20-23-48(44)51-49)32-11-8-10-31(25-32)33-17-18-38-26-37-9-4-5-14-40(37)42(38)27-33/h1-3,5-8,10-25,27-30H,4,9,26H2
InChIKeyBXCMZDIJLRBOQY-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.34
Rot. Bonds4

About 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole

3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 144605224) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID144605224
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC Name3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=CC2=C(CC1)Cc1ccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c3)cc12
InChIInChI=1S/C49H33NO/c1-2-12-39(13-3-1)50-46-16-7-6-15-41(46)43-28-34(19-22-47(43)50)36-21-24-49-45(30-36)44-29-35(20-23-48(44)51-49)32-11-8-10-31(25-32)33-17-18-38-26-37-9-4-5-14-40(37)42(38)27-33/h1-3,5-8,10-25,27-30H,4,9,26H2
InChIKeyBXCMZDIJLRBOQY-UHFFFAOYSA-N
XLogP13.34
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 144605224) is 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is C1=CC2=C(CC1)Cc1ccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c3)cc12.
What is the InChIKey of 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is BXCMZDIJLRBOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-2-12-39(13-3-1)50-46-16-7-6-15-41(46)43-28-34(19-22-47(43)50)36-21-24-49-45(30-36)44-29-35(20-23-48(44)51-49)32-11-8-10-31(25-32)33-17-18-38-26-37-9-4-5-14-40(37)42(38)27-33/h1-3,5-8,10-25,27-30H,4,9,26H2.
What are the key properties of 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 651.81 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 144605224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).