9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole

C76H53ClN4 — CID 126632886

IUPAC9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(Cl)c5)n4)c3)cc21
InChIInChI=1S/C76H53ClN4/c1-75(2)64-26-9-5-22-56(64)58-34-30-48(43-66(58)75)46-32-36-72-62(41-46)60-24-7-11-28-70(60)80(72)54-20-14-16-50(39-54)68-45-69(79-74(78-68)52-18-13-19-53(77)38-52)51-17-15-21-55(40-51)81-71-29-12-8-25-61(71)63-42-47(33-37-73(63)81)49-31-35-59-57-23-6-10-27-65(57)76(3,4)67(59)44-49/h5-45H,1-4H3
InChIKeyOMEMBOKSHDGBFS-UHFFFAOYSA-N
MW1057.74 g/mol
LogP20.27
Rot. Bonds7

About 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole

9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 126632886) has the molecular formula C76H53ClN4 and a molecular weight of 1057.74 g/mol. Its IUPAC name is 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID126632886
Molecular FormulaC76H53ClN4
Molecular Weight1057.74 g/mol
Exact Mass1056.40
IUPAC Name9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(Cl)c5)n4)c3)cc21
InChIInChI=1S/C76H53ClN4/c1-75(2)64-26-9-5-22-56(64)58-34-30-48(43-66(58)75)46-32-36-72-62(41-46)60-24-7-11-28-70(60)80(72)54-20-14-16-50(39-54)68-45-69(79-74(78-68)52-18-13-19-53(77)38-52)51-17-15-21-55(40-51)81-71-29-12-8-25-61(71)63-42-47(33-37-73(63)81)49-31-35-59-57-23-6-10-27-65(57)76(3,4)67(59)44-49/h5-45H,1-4H3
InChIKeyOMEMBOKSHDGBFS-UHFFFAOYSA-N
XLogP20.27
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.74
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole (CID 126632886) is 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(Cl)c5)n4)c3)cc21.
What is the InChIKey of 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is OMEMBOKSHDGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H53ClN4/c1-75(2)64-26-9-5-22-56(64)58-34-30-48(43-66(58)75)46-32-36-72-62(41-46)60-24-7-11-28-70(60)80(72)54-20-14-16-50(39-54)68-45-69(79-74(78-68)52-18-13-19-53(77)38-52)51-17-15-21-55(40-51)81-71-29-12-8-25-61(71)63-42-47(33-37-73(63)81)49-31-35-59-57-23-6-10-27-65(57)76(3,4)67(59)44-49/h5-45H,1-4H3.
What are the key properties of 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole?
9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 1057.74 g/mol, XLogP of 20.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(3-chlorophenyl)-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 126632886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).