9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine

C55H39NO — CID 170126953

IUPAC9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)c(-c4ccccc4)c3)ccc21
InChIInChI=1S/C55H39NO/c1-55(2)50-19-11-9-17-46(50)49-35-43(28-31-51(49)55)56(41-25-21-37(22-26-41)36-13-5-3-6-14-36)42-27-30-44(48(34-42)38-15-7-4-8-16-38)39-23-29-45-40(33-39)24-32-53-54(45)47-18-10-12-20-52(47)57-53/h3-35H,1-2H3
InChIKeyIHNYBKXAWYLRRW-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine

9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 170126953) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID170126953
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)c(-c4ccccc4)c3)ccc21
InChIInChI=1S/C55H39NO/c1-55(2)50-19-11-9-17-46(50)49-35-43(28-31-51(49)55)56(41-25-21-37(22-26-41)36-13-5-3-6-14-36)42-27-30-44(48(34-42)38-15-7-4-8-16-38)39-23-29-45-40(33-39)24-32-53-54(45)47-18-10-12-20-52(47)57-53/h3-35H,1-2H3
InChIKeyIHNYBKXAWYLRRW-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170035375
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 170126534
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)fluoren-2-amine
CID 170035031
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine (CID 170126953) is 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)c(-c4ccccc4)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is IHNYBKXAWYLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-19-11-9-17-46(50)49-35-43(28-31-51(49)55)56(41-25-21-37(22-26-41)36-13-5-3-6-14-36)42-27-30-44(48(34-42)38-15-7-4-8-16-38)39-23-29-45-40(33-39)24-32-53-54(45)47-18-10-12-20-52(47)57-53/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine?
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 170126953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).