2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole

C66H39N3O2 — CID 90352217

IUPAC2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-14-42(15-3-1)67-61-25-13-8-20-49(61)52-38-50(40-26-30-63-53(34-40)55-36-43(28-32-65(55)70-63)68-57-21-9-4-16-45(57)46-17-5-10-22-58(46)68)51(39-62(52)67)41-27-31-64-54(35-41)56-37-44(29-33-66(56)71-64)69-59-23-11-6-18-47(59)48-19-7-12-24-60(48)69/h1-39H
InChIKeyLYFNGYHIZUNFAC-UHFFFAOYSA-N
MW906.06 g/mol
LogP18.11
Rot. Bonds5

About 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole

2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole (PubChem CID 90352217) has the molecular formula C66H39N3O2 and a molecular weight of 906.06 g/mol. Its IUPAC name is 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
PubChem CID90352217
Molecular FormulaC66H39N3O2
Molecular Weight906.06 g/mol
Exact Mass905.30
IUPAC Name2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-14-42(15-3-1)67-61-25-13-8-20-49(61)52-38-50(40-26-30-63-53(34-40)55-36-43(28-32-65(55)70-63)68-57-21-9-4-16-45(57)46-17-5-10-22-58(46)68)51(39-62(52)67)41-27-31-64-54(35-41)56-37-44(29-33-66(56)71-64)69-59-23-11-6-18-47(59)48-19-7-12-24-60(48)69/h1-39H
InChIKeyLYFNGYHIZUNFAC-UHFFFAOYSA-N
XLogP18.11
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.06
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
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-[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
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole?
The IUPAC name of 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole (CID 90352217) is 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc32)cc1.
What is the InChIKey of 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole?
The InChIKey is LYFNGYHIZUNFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3O2/c1-2-14-42(15-3-1)67-61-25-13-8-20-49(61)52-38-50(40-26-30-63-53(34-40)55-36-43(28-32-65(55)70-63)68-57-21-9-4-16-45(57)46-17-5-10-22-58(46)68)51(39-62(52)67)41-27-31-64-54(35-41)56-37-44(29-33-66(56)71-64)69-59-23-11-6-18-47(59)48-19-7-12-24-60(48)69/h1-39H.
What are the key properties of 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole?
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole has a molecular weight of 906.06 g/mol, XLogP of 18.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 90352217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).