9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C56H34N2O2 — CID 165168773

IUPAC9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)cc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C56H34N2O2/c1-2-12-41(13-3-1)58-51-30-27-39(33-48(51)55-46-17-6-9-20-53(46)60-56(55)58)36-23-21-35(22-24-36)38-26-29-50-47(32-38)43-15-4-7-18-49(43)57(50)42-14-10-11-37(31-42)40-25-28-45-44-16-5-8-19-52(44)59-54(45)34-40/h1-34H
InChIKeySSSZSIMXIVBZQE-UHFFFAOYSA-N
MW766.90 g/mol
LogP15.53
Rot. Bonds5

About 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168773) has the molecular formula C56H34N2O2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168773
Molecular FormulaC56H34N2O2
Molecular Weight766.90 g/mol
Exact Mass766.26
IUPAC Name9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)cc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C56H34N2O2/c1-2-12-41(13-3-1)58-51-30-27-39(33-48(51)55-46-17-6-9-20-53(46)60-56(55)58)36-23-21-35(22-24-36)38-26-29-50-47(32-38)43-15-4-7-18-49(43)57(50)42-14-10-11-37(31-42)40-25-28-45-44-16-5-8-19-52(44)59-54(45)34-40/h1-34H
InChIKeySSSZSIMXIVBZQE-UHFFFAOYSA-N
XLogP15.53
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
CID 158073977
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168773) is 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)cc3c3c4ccccc4oc32)cc1.
What is the InChIKey of 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is SSSZSIMXIVBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O2/c1-2-12-41(13-3-1)58-51-30-27-39(33-48(51)55-46-17-6-9-20-53(46)60-56(55)58)36-23-21-35(22-24-36)38-26-29-50-47(32-38)43-15-4-7-18-49(43)57(50)42-14-10-11-37(31-42)40-25-28-45-44-16-5-8-19-52(44)59-54(45)34-40/h1-34H.
What are the key properties of 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 766.90 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).