N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine

C44H35N — CID 164929456

IUPACN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C44H35N/c1-43(2)35-20-11-9-18-33(35)40-37(43)22-13-23-38(40)45(31-25-24-28-14-5-6-15-29(28)26-31)39-27-30-16-7-8-17-32(30)42-41(39)34-19-10-12-21-36(34)44(42,3)4/h5-27H,1-4H3
InChIKeyVCUOJBDOBIRXTF-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.08
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine

N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine (PubChem CID 164929456) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
PubChem CID164929456
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C44H35N/c1-43(2)35-20-11-9-18-33(35)40-37(43)22-13-23-38(40)45(31-25-24-28-14-5-6-15-29(28)26-31)39-27-30-16-7-8-17-32(30)42-41(39)34-19-10-12-21-36(34)44(42,3)4/h5-27H,1-4H3
InChIKeyVCUOJBDOBIRXTF-UHFFFAOYSA-N
XLogP12.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine with MolForge

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Related Compounds

11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-(4-phenanthren-9-ylphenyl)benzo[a]fluoren-6-amine
CID 164929229
3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 146602123
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929284
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 135271123

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine (CID 164929456) is N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine?
The InChIKey is VCUOJBDOBIRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-43(2)35-20-11-9-18-33(35)40-37(43)22-13-23-38(40)45(31-25-24-28-14-5-6-15-29(28)26-31)39-27-30-16-7-8-17-32(30)42-41(39)34-19-10-12-21-36(34)44(42,3)4/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine?
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine has a molecular weight of 577.77 g/mol, XLogP of 12.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).