3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

C70H45FN2O — CID 121443805

IUPAC3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESFc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12
InChIInChI=1S/C70H45FN2O/c71-65-24-12-23-59-58(65)22-13-26-67(59)73-66-25-9-7-20-60(66)61-40-33-51(44-68(61)73)50-32-39-57(64(43-50)53-34-41-63-62-21-8-10-27-69(62)74-70(63)45-53)52-18-11-19-56(42-52)72(54-35-28-48(29-36-54)46-14-3-1-4-15-46)55-37-30-49(31-38-55)47-16-5-2-6-17-47/h1-45H
InChIKeyGAOQIYCZJCSREG-UHFFFAOYSA-N
MW949.14 g/mol
LogP19.78
Rot. Bonds9

About 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 121443805) has the molecular formula C70H45FN2O and a molecular weight of 949.14 g/mol. Its IUPAC name is 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID121443805
Molecular FormulaC70H45FN2O
Molecular Weight949.14 g/mol
Exact Mass948.35
IUPAC Name3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESFc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12
InChIInChI=1S/C70H45FN2O/c71-65-24-12-23-59-58(65)22-13-26-67(59)73-66-25-9-7-20-60(66)61-40-33-51(44-68(61)73)50-32-39-57(64(43-50)53-34-41-63-62-21-8-10-27-69(62)74-70(63)45-53)52-18-11-19-56(42-52)72(54-35-28-48(29-36-54)46-14-3-1-4-15-46)55-37-30-49(31-38-55)47-16-5-2-6-17-47/h1-45H
InChIKeyGAOQIYCZJCSREG-UHFFFAOYSA-N
XLogP19.78
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.14
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 121443805) is 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is Fc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12.
What is the InChIKey of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is GAOQIYCZJCSREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45FN2O/c71-65-24-12-23-59-58(65)22-13-26-67(59)73-66-25-9-7-20-60(66)61-40-33-51(44-68(61)73)50-32-39-57(64(43-50)53-34-41-63-62-21-8-10-27-69(62)74-70(63)45-53)52-18-11-19-56(42-52)72(54-35-28-48(29-36-54)46-14-3-1-4-15-46)55-37-30-49(31-38-55)47-16-5-2-6-17-47/h1-45H.
What are the key properties of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 949.14 g/mol, XLogP of 19.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 121443805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).