5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine

C44H35N — CID 171741066

IUPAC5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C44H35N/c1-30-15-14-24-40-43(30)38-26-25-35(29-41(38)44(40,2)3)45(34-20-8-5-9-21-34)42-28-33-19-11-10-18-32(33)27-39(42)37-23-13-12-22-36(37)31-16-6-4-7-17-31/h4-29H,1-3H3
InChIKeyBWTDZEARAMFYHH-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.26
Rot. Bonds5

About 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine

5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine (PubChem CID 171741066) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine.

Molecular Properties

Compound Name5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
PubChem CID171741066
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C44H35N/c1-30-15-14-24-40-43(30)38-26-25-35(29-41(38)44(40,2)3)45(34-20-8-5-9-21-34)42-28-33-19-11-10-18-32(33)27-39(42)37-23-13-12-22-36(37)31-16-6-4-7-17-31/h4-29H,1-3H3
InChIKeyBWTDZEARAMFYHH-UHFFFAOYSA-N
XLogP12.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 177098579
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171740895
N-[4-(3-cyclohexylnaphthalen-2-yl)phenyl]-5,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171740788
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-5-propan-2-ylfluoren-2-amine
CID 171740959
9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417859
9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417724

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine?
The IUPAC name of 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine (CID 171741066) is 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine.
What is the SMILES notation for 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine?
The canonical SMILES for 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3-c3ccccc3)cc1C2(C)C.
What is the InChIKey of 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine?
The InChIKey is BWTDZEARAMFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-30-15-14-24-40-43(30)38-26-25-35(29-41(38)44(40,2)3)45(34-20-8-5-9-21-34)42-28-33-19-11-10-18-32(33)27-39(42)37-23-13-12-22-36(37)31-16-6-4-7-17-31/h4-29H,1-3H3.
What are the key properties of 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine?
5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine has a molecular weight of 577.77 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine is sourced from PubChem (CID 171741066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).