9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole

C48H32N2O2 — CID 163746165

IUPAC9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
SMILESC1=CC2Oc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7c(c6)C6C=CC=CC6O7)ccc54)cc3C2C=C1
InChIInChI=1S/C48H32N2O2/c1-5-15-40-33(10-1)37-26-29(20-23-42(37)49(40)30-21-24-46-38(27-30)34-11-3-7-18-44(34)51-46)32-14-9-17-43-48(32)36-13-2-6-16-41(36)50(43)31-22-25-47-39(28-31)35-12-4-8-19-45(35)52-47/h1-28,34-35,44-45H
InChIKeyLMBFPLWGWOAZCG-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.49
Rot. Bonds3

About 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole

9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole (PubChem CID 163746165) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
PubChem CID163746165
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
SMILESC1=CC2Oc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7c(c6)C6C=CC=CC6O7)ccc54)cc3C2C=C1
InChIInChI=1S/C48H32N2O2/c1-5-15-40-33(10-1)37-26-29(20-23-42(37)49(40)30-21-24-46-38(27-30)34-11-3-7-18-44(34)51-46)32-14-9-17-43-48(32)36-13-2-6-16-41(36)50(43)31-22-25-47-39(28-31)35-12-4-8-19-45(35)52-47/h1-28,34-35,44-45H
InChIKeyLMBFPLWGWOAZCG-UHFFFAOYSA-N
XLogP11.49
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 142724935
9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
CID 174271917
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170113354
N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine
CID 163890115
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022

Frequently Asked Questions

What is the IUPAC name of 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole?
The IUPAC name of 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole (CID 163746165) is 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole.
What is the SMILES notation for 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole?
The canonical SMILES for 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole is C1=CC2Oc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7c(c6)C6C=CC=CC6O7)ccc54)cc3C2C=C1.
What is the InChIKey of 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole?
The InChIKey is LMBFPLWGWOAZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-5-15-40-33(10-1)37-26-29(20-23-42(37)49(40)30-21-24-46-38(27-30)34-11-3-7-18-44(34)51-46)32-14-9-17-43-48(32)36-13-2-6-16-41(36)50(43)31-22-25-47-39(28-31)35-12-4-8-19-45(35)52-47/h1-28,34-35,44-45H.
What are the key properties of 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole?
9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole has a molecular weight of 668.80 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole is sourced from PubChem (CID 163746165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).