9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole

C48H32N2O — CID 67121591

IUPAC9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C48H32N2O/c1-5-16-43-37(10-1)38-11-2-6-17-44(38)50(43)35-28-29-46-42(30-35)39-12-3-7-18-45(39)49(46)34-26-24-32(25-27-34)31-20-22-33(23-21-31)36-14-9-15-41-40-13-4-8-19-47(40)51-48(36)41/h1-5,7-16,18-30H,6,17H2
InChIKeyLTXXLWUDDCZYAW-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.92
Rot. Bonds4

About 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole

9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole (PubChem CID 67121591) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
PubChem CID67121591
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C48H32N2O/c1-5-16-43-37(10-1)38-11-2-6-17-44(38)50(43)35-28-29-46-42(30-35)39-12-3-7-18-45(39)49(46)34-26-24-32(25-27-34)31-20-22-33(23-21-31)36-14-9-15-41-40-13-4-8-19-47(40)51-48(36)41/h1-5,7-16,18-30H,6,17H2
InChIKeyLTXXLWUDDCZYAW-UHFFFAOYSA-N
XLogP12.92
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole (CID 67121591) is 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole is C1=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1.
What is the InChIKey of 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole?
The InChIKey is LTXXLWUDDCZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-5-16-43-37(10-1)38-11-2-6-17-44(38)50(43)35-28-29-46-42(30-35)39-12-3-7-18-45(39)49(46)34-26-24-32(25-27-34)31-20-22-33(23-21-31)36-14-9-15-41-40-13-4-8-19-47(40)51-48(36)41/h1-5,7-16,18-30H,6,17H2.
What are the key properties of 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole?
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole has a molecular weight of 652.80 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 67121591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).