9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole

C55H34N2O3 — CID 90352219

IUPAC9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole
SMILESCOc1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C55H34N2O3/c1-58-37-22-23-38(33-18-24-52-44(28-33)46-30-35(20-26-54(46)59-52)56-48-14-6-2-10-39(48)40-11-3-7-15-49(40)56)43(32-37)34-19-25-53-45(29-34)47-31-36(21-27-55(47)60-53)57-50-16-8-4-12-41(50)42-13-5-9-17-51(42)57/h2-32H,1H3
InChIKeyKNUVGPYTRYYGJM-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.02
Rot. Bonds5

About 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole

9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole (PubChem CID 90352219) has the molecular formula C55H34N2O3 and a molecular weight of 770.89 g/mol. Its IUPAC name is 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole
PubChem CID90352219
Molecular FormulaC55H34N2O3
Molecular Weight770.89 g/mol
Exact Mass770.26
IUPAC Name9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole
SMILESCOc1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C55H34N2O3/c1-58-37-22-23-38(33-18-24-52-44(28-33)46-30-35(20-26-54(46)59-52)56-48-14-6-2-10-39(48)40-11-3-7-15-49(40)56)43(32-37)34-19-25-53-45(29-34)47-31-36(21-27-55(47)60-53)57-50-16-8-4-12-41(50)42-13-5-9-17-51(42)57/h2-32H,1H3
InChIKeyKNUVGPYTRYYGJM-UHFFFAOYSA-N
XLogP15.02
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-diphenylphosphorylphenyl]dibenzofuran-2-yl]carbazole
CID 90352223
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524

Frequently Asked Questions

What is the IUPAC name of 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole (CID 90352219) is 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole is COc1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.
What is the InChIKey of 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is KNUVGPYTRYYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O3/c1-58-37-22-23-38(33-18-24-52-44(28-33)46-30-35(20-26-54(46)59-52)56-48-14-6-2-10-39(48)40-11-3-7-15-49(40)56)43(32-37)34-19-25-53-45(29-34)47-31-36(21-27-55(47)60-53)57-50-16-8-4-12-41(50)42-13-5-9-17-51(42)57/h2-32H,1H3.
What are the key properties of 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole?
9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 770.89 g/mol, XLogP of 15.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 90352219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).