3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

C48H30FN3O — CID 144597234

IUPAC3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)-c1cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1CO2
InChIInChI=1S/C48H30FN3O/c49-34-21-24-47-41(28-34)38-27-32(17-18-33(38)29-53-47)42-13-8-16-48(50-42)52-44-15-7-5-12-37(44)40-26-31(20-23-46(40)52)30-19-22-45-39(25-30)36-11-4-6-14-43(36)51(45)35-9-2-1-3-10-35/h1-28H,29H2
InChIKeyDZJJGWDAZXEIMK-UHFFFAOYSA-N
MW683.79 g/mol
LogP12.31
Rot. Bonds4

About 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 144597234) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID144597234
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)-c1cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1CO2
InChIInChI=1S/C48H30FN3O/c49-34-21-24-47-41(28-34)38-27-32(17-18-33(38)29-53-47)42-13-8-16-48(50-42)52-44-15-7-5-12-37(44)40-26-31(20-23-46(40)52)30-19-22-45-39(25-30)36-11-4-6-14-43(36)51(45)35-9-2-1-3-10-35/h1-28H,29H2
InChIKeyDZJJGWDAZXEIMK-UHFFFAOYSA-N
XLogP12.31
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (CID 144597234) is 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2c(c1)-c1cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1CO2.
What is the InChIKey of 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is DZJJGWDAZXEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-34-21-24-47-41(28-34)38-27-32(17-18-33(38)29-53-47)42-13-8-16-48(50-42)52-44-15-7-5-12-37(44)40-26-31(20-23-46(40)52)30-19-22-45-39(25-30)36-11-4-6-14-43(36)51(45)35-9-2-1-3-10-35/h1-28H,29H2.
What are the key properties of 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 683.79 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[6-(2-fluoro-6H-benzo[c]chromen-9-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144597234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).