7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole

C44H26FN3O — CID 121419656

IUPAC7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1
InChIInChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H
InChIKeyKPGSVJVVYGJCBW-UHFFFAOYSA-N
MW631.71 g/mol
LogP11.84
Rot. Bonds3

About 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole

7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 121419656) has the molecular formula C44H26FN3O and a molecular weight of 631.71 g/mol. Its IUPAC name is 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
PubChem CID121419656
Molecular FormulaC44H26FN3O
Molecular Weight631.71 g/mol
Exact Mass631.21
IUPAC Name7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1
InChIInChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H
InChIKeyKPGSVJVVYGJCBW-UHFFFAOYSA-N
XLogP11.84
TPSA27.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.71
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 163659390
6-[3-Dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129087671
5-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19(24),20,22-undecaene-21-carbonitrile
CID 129127794
3-Fluoranthen-3-yl-28-oxa-3,11,18-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),4,6,8,12,14,16,18,21(29),22,24,26,30-tetradecaene
CID 129128089
15-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297243
7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223354
2-[7-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223401
7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223421
8-(11,12-Diphenylindolo[2,3-a]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223470
8-(11,12-Diphenylindolo[2,3-a]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223501
7-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223624
9-(11,12-Diphenylindolo[2,3-a]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223637

Frequently Asked Questions

What is the IUPAC name of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole (CID 121419656) is 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole is Fc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1.
What is the InChIKey of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is KPGSVJVVYGJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H.
What are the key properties of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 631.71 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 121419656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).