11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

C54H35N3O — CID 138662818

IUPAC11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)ccc21
InChIInChI=1S/C54H35N3O/c1-54(2)43-18-8-3-13-35(43)40-31-34(25-26-44(40)54)56-46-20-10-5-14-36(46)41-29-32(23-27-48(41)56)33-24-28-49-42(30-33)37-15-6-11-21-47(37)57(49)52-38-16-4-9-19-45(38)55-51-39-17-7-12-22-50(39)58-53(51)52/h3-31H,1-2H3
InChIKeyVHNOGMQEEGCCLE-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.30
Rot. Bonds3

About 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138662818) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138662818
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)ccc21
InChIInChI=1S/C54H35N3O/c1-54(2)43-18-8-3-13-35(43)40-31-34(25-26-44(40)54)56-46-20-10-5-14-36(46)41-29-32(23-27-48(41)56)33-24-28-49-42(30-33)37-15-6-11-21-47(37)57(49)52-38-16-4-9-19-45(38)55-51-39-17-7-12-22-50(39)58-53(51)52/h3-31H,1-2H3
InChIKeyVHNOGMQEEGCCLE-UHFFFAOYSA-N
XLogP14.30
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (CID 138662818) is 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)ccc21.
What is the InChIKey of 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is VHNOGMQEEGCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-54(2)43-18-8-3-13-35(43)40-31-34(25-26-44(40)54)56-46-20-10-5-14-36(46)41-29-32(23-27-48(41)56)33-24-28-49-42(30-33)37-15-6-11-21-47(37)57(49)52-38-16-4-9-19-45(38)55-51-39-17-7-12-22-50(39)58-53(51)52/h3-31H,1-2H3.
What are the key properties of 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 741.89 g/mol, XLogP of 14.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138662818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).