9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole

C66H42F3N5 — CID 88863161

IUPAC9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
SMILESCc1cncc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8cc(C)ccn8)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(F)cc4)ccc2n3-c2ccc(F)cc2)c1
InChIInChI=1S/C66H42F3N5/c1-39-27-28-71-60(30-39)46-8-26-66-59(36-46)57-34-44(6-24-64(57)74(66)53-19-13-50(69)14-20-53)42-4-22-62-55(32-42)54-31-41(3-21-61(54)72(62)51-15-9-48(67)10-16-51)43-5-23-63-56(33-43)58-35-45(47-29-40(2)37-70-38-47)7-25-65(58)73(63)52-17-11-49(68)12-18-52/h3-38H,1-2H3
InChIKeyIPLRVLKROHJRMK-UHFFFAOYSA-N
MW962.09 g/mol
LogP17.47
Rot. Bonds7

About 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole

9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole (PubChem CID 88863161) has the molecular formula C66H42F3N5 and a molecular weight of 962.09 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
PubChem CID88863161
Molecular FormulaC66H42F3N5
Molecular Weight962.09 g/mol
Exact Mass961.34
IUPAC Name9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
SMILESCc1cncc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8cc(C)ccn8)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(F)cc4)ccc2n3-c2ccc(F)cc2)c1
InChIInChI=1S/C66H42F3N5/c1-39-27-28-71-60(30-39)46-8-26-66-59(36-46)57-34-44(6-24-64(57)74(66)53-19-13-50(69)14-20-53)42-4-22-62-55(32-42)54-31-41(3-21-61(54)72(62)51-15-9-48(67)10-16-51)43-5-23-63-56(33-43)58-35-45(47-29-40(2)37-70-38-47)7-25-65(58)73(63)52-17-11-49(68)12-18-52/h3-38H,1-2H3
InChIKeyIPLRVLKROHJRMK-UHFFFAOYSA-N
XLogP17.47
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.09
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole (CID 88863161) is 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole is Cc1cncc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8cc(C)ccn8)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(F)cc4)ccc2n3-c2ccc(F)cc2)c1.
What is the InChIKey of 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is IPLRVLKROHJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42F3N5/c1-39-27-28-71-60(30-39)46-8-26-66-59(36-46)57-34-44(6-24-64(57)74(66)53-19-13-50(69)14-20-53)42-4-22-62-55(32-42)54-31-41(3-21-61(54)72(62)51-15-9-48(67)10-16-51)43-5-23-63-56(33-43)58-35-45(47-29-40(2)37-70-38-47)7-25-65(58)73(63)52-17-11-49(68)12-18-52/h3-38H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole?
9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 962.09 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 88863161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).