N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

C55H38N2O — CID 177122137

IUPACN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)47-20-8-5-17-46(47)52-48(55)21-12-24-51(52)56(38-30-32-39(33-31-38)57-49-22-9-6-15-42(49)43-16-7-10-23-50(43)57)37-28-25-36(26-29-37)41-18-11-19-44-45-34-27-35-13-3-4-14-40(35)54(45)58-53(41)44/h3-34H,1-2H3
InChIKeyWZIXBZWOVMPADY-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (PubChem CID 177122137) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
PubChem CID177122137
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)47-20-8-5-17-46(47)52-48(55)21-12-24-51(52)56(38-30-32-39(33-31-38)57-49-22-9-6-15-42(49)43-16-7-10-23-50(43)57)37-28-25-36(26-29-37)41-18-11-19-44-45-34-27-35-13-3-4-14-40(35)54(45)58-53(41)44/h3-34H,1-2H3
InChIKeyWZIXBZWOVMPADY-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

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 118410898
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
CID 177122073
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-(9,9-dimethylfluoren-4-yl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 158067957
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (CID 177122137) is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The InChIKey is WZIXBZWOVMPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)47-20-8-5-17-46(47)52-48(55)21-12-24-51(52)56(38-30-32-39(33-31-38)57-49-22-9-6-15-42(49)43-16-7-10-23-50(43)57)37-28-25-36(26-29-37)41-18-11-19-44-45-34-27-35-13-3-4-14-40(35)54(45)58-53(41)44/h3-34H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-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-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 177122137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).