5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

C45H30N2O — CID 89472024

IUPAC5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3cc21
InChIInChI=1S/C45H30N2O/c1-45(2)37-15-7-3-11-29(37)33-25-34-32-14-6-10-18-41(32)47(42(34)26-38(33)45)28-20-22-44-36(24-28)35-23-27(19-21-43(35)48-44)46-39-16-8-4-12-30(39)31-13-5-9-17-40(31)46/h3-26H,1-2H3
InChIKeyFYEYLKSMTUCING-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.09
Rot. Bonds2

About 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 89472024) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID89472024
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3cc21
InChIInChI=1S/C45H30N2O/c1-45(2)37-15-7-3-11-29(37)33-25-34-32-14-6-10-18-41(32)47(42(34)26-38(33)45)28-20-22-44-36(24-28)35-23-27(19-21-43(35)48-44)46-39-16-8-4-12-30(39)31-13-5-9-17-40(31)46/h3-26H,1-2H3
InChIKeyFYEYLKSMTUCING-UHFFFAOYSA-N
XLogP12.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
CID 134551686
CID 134551686
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496

Frequently Asked Questions

What is the IUPAC name of 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (CID 89472024) is 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3cc21.
What is the InChIKey of 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is FYEYLKSMTUCING-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-45(2)37-15-7-3-11-29(37)33-25-34-32-14-6-10-18-41(32)47(42(34)26-38(33)45)28-20-22-44-36(24-28)35-23-27(19-21-43(35)48-44)46-39-16-8-4-12-30(39)31-13-5-9-17-40(31)46/h3-26H,1-2H3.
What are the key properties of 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 614.75 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 89472024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).