N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine

C50H39N — CID 166974898

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc21
InChIInChI=1S/C50H39N/c1-49(2)44-22-10-9-20-41(44)42-26-24-36(30-46(42)49)51(35-17-11-16-34(29-35)39-21-12-15-32-13-5-7-18-38(32)39)37-25-27-43-47(31-37)50(3,4)45-28-23-33-14-6-8-19-40(33)48(43)45/h5-31H,1-4H3
InChIKeyPVFBZIYPBJYONG-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine (PubChem CID 166974898) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
PubChem CID166974898
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc21
InChIInChI=1S/C50H39N/c1-49(2)44-22-10-9-20-41(44)42-26-24-36(30-46(42)49)51(35-17-11-16-34(29-35)39-21-12-15-32-13-5-7-18-38(32)39)37-25-27-43-47(31-37)50(3,4)45-28-23-33-14-6-8-19-40(33)48(43)45/h5-31H,1-4H3
InChIKeyPVFBZIYPBJYONG-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine (CID 166974898) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine?
The InChIKey is PVFBZIYPBJYONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)44-22-10-9-20-41(44)42-26-24-36(30-46(42)49)51(35-17-11-16-34(29-35)39-21-12-15-32-13-5-7-18-38(32)39)37-25-27-43-47(31-37)50(3,4)45-28-23-33-14-6-8-19-40(33)48(43)45/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine is sourced from PubChem (CID 166974898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).