2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole

C50H32N2O2 — CID 130359021

IUPAC2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
SMILESCc1ccc2oc3c(-n4c5ccccc5c5ccc(Cc6cc(-n7c8ccccc8c8ccccc87)cc7c6oc6ccccc67)cc54)cccc3c2c1
InChIInChI=1S/C50H32N2O2/c1-30-21-24-48-40(25-30)39-15-10-19-45(50(39)54-48)52-44-18-8-4-13-36(44)37-23-22-31(27-46(37)52)26-32-28-33(29-41-38-14-5-9-20-47(38)53-49(32)41)51-42-16-6-2-11-34(42)35-12-3-7-17-43(35)51/h2-25,27-29H,26H2,1H3
InChIKeyBIDHOSSWBFDQGA-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.58
Rot. Bonds4

About 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole

2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole (PubChem CID 130359021) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
PubChem CID130359021
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
SMILESCc1ccc2oc3c(-n4c5ccccc5c5ccc(Cc6cc(-n7c8ccccc8c8ccccc87)cc7c6oc6ccccc67)cc54)cccc3c2c1
InChIInChI=1S/C50H32N2O2/c1-30-21-24-48-40(25-30)39-15-10-19-45(50(39)54-48)52-44-18-8-4-13-36(44)37-23-22-31(27-46(37)52)26-32-28-33(29-41-38-14-5-9-20-47(38)53-49(32)41)51-42-16-6-2-11-34(42)35-12-3-7-17-43(35)51/h2-25,27-29H,26H2,1H3
InChIKeyBIDHOSSWBFDQGA-UHFFFAOYSA-N
XLogP13.58
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
3-benzyl-6-(6-benzyl-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 162234095
1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
CID 160915463
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
CID 161427199
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 167701543
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-dibenzofuran-4-yl-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501186

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole?
The IUPAC name of 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole (CID 130359021) is 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole is Cc1ccc2oc3c(-n4c5ccccc5c5ccc(Cc6cc(-n7c8ccccc8c8ccccc87)cc7c6oc6ccccc67)cc54)cccc3c2c1.
What is the InChIKey of 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole?
The InChIKey is BIDHOSSWBFDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c1-30-21-24-48-40(25-30)39-15-10-19-45(50(39)54-48)52-44-18-8-4-13-36(44)37-23-22-31(27-46(37)52)26-32-28-33(29-41-38-14-5-9-20-47(38)53-49(32)41)51-42-16-6-2-11-34(42)35-12-3-7-17-43(35)51/h2-25,27-29H,26H2,1H3.
What are the key properties of 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole?
2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole has a molecular weight of 692.82 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 130359021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).