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

C144H87N9O3 — CID 161172742

IUPAC3-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
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc12
InChIInChI=1S/3C48H29N3O/c1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)34-14-3-8-20-42(34)50(44)31-25-27-45-39(29-31)35-15-4-9-21-43(35)51(45)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-22-25-45-39(27-30)35-13-3-8-18-43(35)50(45)31-23-26-46-40(28-31)36-14-4-9-19-44(36)51(46)32-21-24-38-37-15-5-10-20-47(37)52-48(38)29-32;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)35-13-3-8-18-43(35)50(45)31-22-25-46-39(28-31)36-14-4-9-19-44(36)51(46)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h3*1-29H
InChIKeyURKCWULTUSOMGZ-UHFFFAOYSA-N
MW1991.34 g/mol
LogP38.63
Rot. Bonds9

About 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

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 (PubChem CID 161172742) has the molecular formula C144H87N9O3 and a molecular weight of 1991.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161172742
Molecular FormulaC144H87N9O3
Molecular Weight1991.34 g/mol
Exact Mass1989.69
IUPAC Name3-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
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc12
InChIInChI=1S/3C48H29N3O/c1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)34-14-3-8-20-42(34)50(44)31-25-27-45-39(29-31)35-15-4-9-21-43(35)51(45)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-22-25-45-39(27-30)35-13-3-8-18-43(35)50(45)31-23-26-46-40(28-31)36-14-4-9-19-44(36)51(46)32-21-24-38-37-15-5-10-20-47(37)52-48(38)29-32;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)35-13-3-8-18-43(35)50(45)31-22-25-46-39(28-31)36-14-4-9-19-44(36)51(46)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h3*1-29H
InChIKeyURKCWULTUSOMGZ-UHFFFAOYSA-N
XLogP38.63
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001991.34
LogP ≤ 538.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc12.
What is the InChIKey of 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?
The InChIKey is URKCWULTUSOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H29N3O/c1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)34-14-3-8-20-42(34)50(44)31-25-27-45-39(29-31)35-15-4-9-21-43(35)51(45)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-22-25-45-39(27-30)35-13-3-8-18-43(35)50(45)31-23-26-46-40(28-31)36-14-4-9-19-44(36)51(46)32-21-24-38-37-15-5-10-20-47(37)52-48(38)29-32;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)35-13-3-8-18-43(35)50(45)31-22-25-46-39(28-31)36-14-4-9-19-44(36)51(46)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h3*1-29H.
What are the key properties of 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?
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 has a molecular weight of 1991.34 g/mol, XLogP of 38.63, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161172742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).