6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole

C56H38FN3 — CID 163669342

IUPAC6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5cccc(F)c5)c4)cc3)cc21
InChIInChI=1S/C56H38FN3/c1-56(2)50-17-5-3-14-44(50)45-26-21-40(33-51(45)56)39-22-27-53-48(31-39)46-15-4-6-18-52(46)59(53)42-24-19-35(20-25-42)36-10-7-11-37(30-36)38-23-28-54-49(32-38)47-16-9-29-58-55(47)60(54)43-13-8-12-41(57)34-43/h3-34H,1-2H3
InChIKeyJBDOBSHFQJPHMK-UHFFFAOYSA-N
MW771.94 g/mol
LogP14.72
Rot. Bonds5

About 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole

6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole (PubChem CID 163669342) has the molecular formula C56H38FN3 and a molecular weight of 771.94 g/mol. Its IUPAC name is 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole
PubChem CID163669342
Molecular FormulaC56H38FN3
Molecular Weight771.94 g/mol
Exact Mass771.30
IUPAC Name6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5cccc(F)c5)c4)cc3)cc21
InChIInChI=1S/C56H38FN3/c1-56(2)50-17-5-3-14-44(50)45-26-21-40(33-51(45)56)39-22-27-53-48(31-39)46-15-4-6-18-52(46)59(53)42-24-19-35(20-25-42)36-10-7-11-37(30-36)38-23-28-54-49(32-38)47-16-9-29-58-55(47)60(54)43-13-8-12-41(57)34-43/h3-34H,1-2H3
InChIKeyJBDOBSHFQJPHMK-UHFFFAOYSA-N
XLogP14.72
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.94
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole?
The IUPAC name of 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole (CID 163669342) is 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole?
The canonical SMILES for 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5cccc(F)c5)c4)cc3)cc21.
What is the InChIKey of 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole?
The InChIKey is JBDOBSHFQJPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38FN3/c1-56(2)50-17-5-3-14-44(50)45-26-21-40(33-51(45)56)39-22-27-53-48(31-39)46-15-4-6-18-52(46)59(53)42-24-19-35(20-25-42)36-10-7-11-37(30-36)38-23-28-54-49(32-38)47-16-9-29-58-55(47)60(54)43-13-8-12-41(57)34-43/h3-34H,1-2H3.
What are the key properties of 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole?
6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole has a molecular weight of 771.94 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]-9-(3-fluorophenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 163669342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).