9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine

C43H33NO — CID 170035903

IUPAC9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine
SMILESCC1(C)c2ccccc2C2=CC(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)=CCC21
InChIInChI=1S/C43H33NO/c1-43(2)38-15-9-8-14-35(38)36-27-33(22-23-39(36)43)44(31-11-4-3-5-12-31)32-20-16-28(17-21-32)30-19-24-40-37(26-30)42-34-13-7-6-10-29(34)18-25-41(42)45-40/h3-22,24-27,39H,23H2,1-2H3
InChIKeyKBVYPIFMPFRABD-UHFFFAOYSA-N
MW579.74 g/mol
LogP11.82
Rot. Bonds4

About 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine

9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine (PubChem CID 170035903) has the molecular formula C43H33NO and a molecular weight of 579.74 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine
PubChem CID170035903
Molecular FormulaC43H33NO
Molecular Weight579.74 g/mol
Exact Mass579.26
IUPAC Name9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine
SMILESCC1(C)c2ccccc2C2=CC(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)=CCC21
InChIInChI=1S/C43H33NO/c1-43(2)38-15-9-8-14-35(38)36-27-33(22-23-39(36)43)44(31-11-4-3-5-12-31)32-20-16-28(17-21-32)30-19-24-40-37(26-30)42-34-13-7-6-10-29(34)18-25-41(42)45-40/h3-22,24-27,39H,23H2,1-2H3
InChIKeyKBVYPIFMPFRABD-UHFFFAOYSA-N
XLogP11.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine with MolForge

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Related Compounds

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
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
N-(5a,6-dihydrodibenzothiophen-3-yl)-N-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170035896
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;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 159656584
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile
CID 67964681
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine (CID 170035903) is 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine is CC1(C)c2ccccc2C2=CC(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)=CCC21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine?
The InChIKey is KBVYPIFMPFRABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NO/c1-43(2)38-15-9-8-14-35(38)36-27-33(22-23-39(36)43)44(31-11-4-3-5-12-31)32-20-16-28(17-21-32)30-19-24-40-37(26-30)42-34-13-7-6-10-29(34)18-25-41(42)45-40/h3-22,24-27,39H,23H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine?
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine has a molecular weight of 579.74 g/mol, XLogP of 11.82, 4 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-10-ylphenyl)-N-phenyl-1,9a-dihydrofluoren-3-amine is sourced from PubChem (CID 170035903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).