3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

C49H33N3O — CID 163632784

IUPAC3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C49H33N3O/c1-30-12-10-21-45-48(30)37-16-4-8-20-42(37)51(45)32-25-27-44-39(29-32)38-28-31(50-40-18-6-2-13-33(40)34-14-3-7-19-41(34)50)24-26-43(38)52(44)46-22-11-17-36-35-15-5-9-23-47(35)53-49(36)46/h2-11,13-30H,12H2,1H3
InChIKeyHXOKTRDXIXXMTL-UHFFFAOYSA-N
MW679.82 g/mol
LogP13.24
Rot. Bonds3

About 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (PubChem CID 163632784) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
PubChem CID163632784
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C49H33N3O/c1-30-12-10-21-45-48(30)37-16-4-8-20-42(37)51(45)32-25-27-44-39(29-32)38-28-31(50-40-18-6-2-13-33(40)34-14-3-7-19-41(34)50)24-26-43(38)52(44)46-22-11-17-36-35-15-5-9-23-47(35)53-49(36)46/h2-11,13-30H,12H2,1H3
InChIKeyHXOKTRDXIXXMTL-UHFFFAOYSA-N
XLogP13.24
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-4-yl-3-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 159339879
9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 139397505
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218
6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144604278
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 90348740
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (CID 163632784) is 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is CC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The InChIKey is HXOKTRDXIXXMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-30-12-10-21-45-48(30)37-16-4-8-20-42(37)51(45)32-25-27-44-39(29-32)38-28-31(50-40-18-6-2-13-33(40)34-14-3-7-19-41(34)50)24-26-43(38)52(44)46-22-11-17-36-35-15-5-9-23-47(35)53-49(36)46/h2-11,13-30H,12H2,1H3.
What are the key properties of 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole has a molecular weight of 679.82 g/mol, XLogP of 13.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 163632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).