5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

C54H32N2O2 — CID 142347126

IUPAC5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8c9c%10oc%11ccccc%11c%10ccc9n(-c9ccccc9)c8c7)cc6c45)ccc32)cc1
InChIInChI=1S/C54H32N2O2/c1-3-12-36(13-4-1)55-45-19-9-7-16-39(45)43-31-35(23-27-46(43)55)38-18-11-21-51-52(38)44-30-33(24-29-50(44)57-51)34-22-25-42-48(32-34)56(37-14-5-2-6-15-37)47-28-26-41-40-17-8-10-20-49(40)58-54(41)53(42)47/h1-32H
InChIKeySVJYCFXHOBVLOD-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 142347126) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID142347126
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8c9c%10oc%11ccccc%11c%10ccc9n(-c9ccccc9)c8c7)cc6c45)ccc32)cc1
InChIInChI=1S/C54H32N2O2/c1-3-12-36(13-4-1)55-45-19-9-7-16-39(45)43-31-35(23-27-46(43)55)38-18-11-21-51-52(38)44-30-33(24-29-50(44)57-51)34-22-25-42-48(32-34)56(37-14-5-2-6-15-37)47-28-26-41-40-17-8-10-20-49(40)58-54(41)53(42)47/h1-32H
InChIKeySVJYCFXHOBVLOD-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223386
7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 159712006
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 167269862
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 142347126) is 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8c9c%10oc%11ccccc%11c%10ccc9n(-c9ccccc9)c8c7)cc6c45)ccc32)cc1.
What is the InChIKey of 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SVJYCFXHOBVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-12-36(13-4-1)55-45-19-9-7-16-39(45)43-31-35(23-27-46(43)55)38-18-11-21-51-52(38)44-30-33(24-29-50(44)57-51)34-22-25-42-48(32-34)56(37-14-5-2-6-15-37)47-28-26-41-40-17-8-10-20-49(40)58-54(41)53(42)47/h1-32H.
What are the key properties of 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 142347126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).