6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol

C30H20F2N2O2 — CID 174178960

IUPAC6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol
SMILESOc1ccc2[nH]c3c(c2c1)C(c1ccc(F)cc1)c1[nH]c2ccc(O)cc2c1C3c1ccc(F)cc1
InChIInChI=1S/C30H20F2N2O2/c31-17-5-1-15(2-6-17)25-27-21-13-19(35)9-11-23(21)34-30(27)26(16-3-7-18(32)8-4-16)28-22-14-20(36)10-12-24(22)33-29(25)28/h1-14,25-26,33-36H
InChIKeyCNJGVZDDYMQTSY-UHFFFAOYSA-N
MW478.50 g/mol
LogP7.01
Rot. Bonds2

About 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol

6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol (PubChem CID 174178960) has the molecular formula C30H20F2N2O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol.

Molecular Properties

Compound Name6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol
PubChem CID174178960
Molecular FormulaC30H20F2N2O2
Molecular Weight478.50 g/mol
Exact Mass478.15
IUPAC Name6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol
SMILESOc1ccc2[nH]c3c(c2c1)C(c1ccc(F)cc1)c1[nH]c2ccc(O)cc2c1C3c1ccc(F)cc1
InChIInChI=1S/C30H20F2N2O2/c31-17-5-1-15(2-6-17)25-27-21-13-19(35)9-11-23(21)34-30(27)26(16-3-7-18(32)8-4-16)28-22-14-20(36)10-12-24(22)33-29(25)28/h1-14,25-26,33-36H
InChIKeyCNJGVZDDYMQTSY-UHFFFAOYSA-N
XLogP7.01
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 57.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol?
The IUPAC name of 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol (CID 174178960) is 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol.
What is the SMILES notation for 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol?
The canonical SMILES for 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol is Oc1ccc2[nH]c3c(c2c1)C(c1ccc(F)cc1)c1[nH]c2ccc(O)cc2c1C3c1ccc(F)cc1.
What is the InChIKey of 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol?
The InChIKey is CNJGVZDDYMQTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N2O2/c31-17-5-1-15(2-6-17)25-27-21-13-19(35)9-11-23(21)34-30(27)26(16-3-7-18(32)8-4-16)28-22-14-20(36)10-12-24(22)33-29(25)28/h1-14,25-26,33-36H.
What are the key properties of 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol?
6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol has a molecular weight of 478.50 g/mol, XLogP of 7.01, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol is sourced from PubChem (CID 174178960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).