N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine

C55H38N2O — CID 177122073

IUPACN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)c3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3
InChIKeyKOMYNDDDUKTUHE-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine (PubChem CID 177122073) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
PubChem CID177122073
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)c3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3
InChIKeyKOMYNDDDUKTUHE-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-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine
CID 177122054
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997166
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 155318425
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine (CID 177122073) is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)c3)cccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine?
The InChIKey is KOMYNDDDUKTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine?
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-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-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 177122073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).