9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole

C61H36N2O2 — CID 143456606

IUPAC9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc4C5)cc3c2c1
InChIInChI=1S/C61H36N2O2/c1-5-13-54-44(9-1)45-10-2-6-14-55(45)62(54)42-23-27-60-52(34-42)50-32-38(21-25-58(50)64-60)36-17-19-40-29-41-20-18-37(31-49(41)48(40)30-36)39-22-26-59-51(33-39)53-35-43(24-28-61(53)65-59)63-56-15-7-3-11-46(56)47-12-4-8-16-57(47)63/h1-28,30-35H,29H2
InChIKeyIZXZAUYJOAQSJJ-UHFFFAOYSA-N
MW828.97 g/mol
LogP16.58
Rot. Bonds4

About 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole

9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole (PubChem CID 143456606) has the molecular formula C61H36N2O2 and a molecular weight of 828.97 g/mol. Its IUPAC name is 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
PubChem CID143456606
Molecular FormulaC61H36N2O2
Molecular Weight828.97 g/mol
Exact Mass828.28
IUPAC Name9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc4C5)cc3c2c1
InChIInChI=1S/C61H36N2O2/c1-5-13-54-44(9-1)45-10-2-6-14-55(45)62(54)42-23-27-60-52(34-42)50-32-38(21-25-58(50)64-60)36-17-19-40-29-41-20-18-37(31-49(41)48(40)30-36)39-22-26-59-51(33-39)53-35-43(24-28-61(53)65-59)63-56-15-7-3-11-46(56)47-12-4-8-16-57(47)63/h1-28,30-35H,29H2
InChIKeyIZXZAUYJOAQSJJ-UHFFFAOYSA-N
XLogP16.58
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.97
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
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
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-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)carbazole
CID 121441526
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
CID 121441427
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
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
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288

Frequently Asked Questions

What is the IUPAC name of 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole (CID 143456606) is 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc4C5)cc3c2c1.
What is the InChIKey of 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is IZXZAUYJOAQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2O2/c1-5-13-54-44(9-1)45-10-2-6-14-55(45)62(54)42-23-27-60-52(34-42)50-32-38(21-25-58(50)64-60)36-17-19-40-29-41-20-18-37(31-49(41)48(40)30-36)39-22-26-59-51(33-39)53-35-43(24-28-61(53)65-59)63-56-15-7-3-11-46(56)47-12-4-8-16-57(47)63/h1-28,30-35H,29H2.
What are the key properties of 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole?
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 828.97 g/mol, XLogP of 16.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 143456606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).