N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine

C55H38N2O — CID 166002710

IUPACN-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)cc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-18-8-5-15-42(48)47-33-39(28-31-49(47)55)56(50-21-11-13-36-12-3-4-14-41(36)50)38-25-22-35(23-26-38)37-24-29-45-46-30-27-40(34-54(46)58-53(45)32-37)57-51-19-9-6-16-43(51)44-17-7-10-20-52(44)57/h3-34H,1-2H3
InChIKeyJIHSZOJQTUMOBP-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine

N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine (PubChem CID 166002710) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
PubChem CID166002710
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)cc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-18-8-5-15-42(48)47-33-39(28-31-49(47)55)56(50-21-11-13-36-12-3-4-14-41(36)50)38-25-22-35(23-26-38)37-24-29-45-46-30-27-40(34-54(46)58-53(45)32-37)57-51-19-9-6-16-43(51)44-17-7-10-20-52(44)57/h3-34H,1-2H3
InChIKeyJIHSZOJQTUMOBP-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 66585289
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane
CID 144844381
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139567875
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-[3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-pyridin-3-ylphenyl)aniline;N-[3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 160810129

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine?
The IUPAC name of N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine (CID 166002710) is N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine.
What is the SMILES notation for N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine?
The canonical SMILES for N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)cc3)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine?
The InChIKey is JIHSZOJQTUMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-18-8-5-15-42(48)47-33-39(28-31-49(47)55)56(50-21-11-13-36-12-3-4-14-41(36)50)38-25-22-35(23-26-38)37-24-29-45-46-30-27-40(34-54(46)58-53(45)32-37)57-51-19-9-6-16-43(51)44-17-7-10-20-52(44)57/h3-34H,1-2H3.
What are the key properties of N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine?
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine has a molecular weight of 742.92 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine is sourced from PubChem (CID 166002710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).