5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

C57H36N2O2 — CID 90191437

IUPAC5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc21
InChIInChI=1S/C57H36N2O2/c1-57(2)45-17-7-3-12-36(45)37-25-24-35(32-46(37)57)58-47-18-8-4-13-38(47)43-30-33(22-27-48(43)58)34-23-28-49-44(31-34)54-50(29-26-42-40-15-6-10-21-53(40)61-56(42)54)59(49)51-19-11-16-41-39-14-5-9-20-52(39)60-55(41)51/h3-32H,1-2H3
InChIKeyIPPWEQGXYOTCSY-UHFFFAOYSA-N
MW780.93 g/mol
LogP15.65
Rot. Bonds3

About 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90191437) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90191437
Molecular FormulaC57H36N2O2
Molecular Weight780.93 g/mol
Exact Mass780.28
IUPAC Name5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc21
InChIInChI=1S/C57H36N2O2/c1-57(2)45-17-7-3-12-36(45)37-25-24-35(32-46(37)57)58-47-18-8-4-13-38(47)43-30-33(22-27-48(43)58)34-23-28-49-44(31-34)54-50(29-26-42-40-15-6-10-21-53(40)61-56(42)54)59(49)51-19-11-16-41-39-14-5-9-20-52(39)60-55(41)51/h3-32H,1-2H3
InChIKeyIPPWEQGXYOTCSY-UHFFFAOYSA-N
XLogP15.65
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
5-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490425
19-(9,9-dimethylfluoren-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8,15-diphenyl-19-(3-phenylphenyl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 157124821
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 159912308
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (CID 90191437) is 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc21.
What is the InChIKey of 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is IPPWEQGXYOTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-57(2)45-17-7-3-12-36(45)37-25-24-35(32-46(37)57)58-47-18-8-4-13-38(47)43-30-33(22-27-48(43)58)34-23-28-49-44(31-34)54-50(29-26-42-40-15-6-10-21-53(40)61-56(42)54)59(49)51-19-11-16-41-39-14-5-9-20-52(39)60-55(41)51/h3-32H,1-2H3.
What are the key properties of 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 780.93 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).