9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine

C43H33N — CID 171452515

IUPAC9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C43H33N/c1-43(2)41-18-9-8-17-39(41)40-26-25-38(29-42(40)43)44(36-23-21-32(22-24-36)30-11-4-3-5-12-30)37-16-10-15-34(28-37)35-20-19-31-13-6-7-14-33(31)27-35/h3-29H,1-2H3/i21D,22D,23D,24D
InChIKeyMGFCBDBCYKTLQC-PSPFTTDESA-N
MW567.77 g/mol
LogP11.95
Rot. Bonds5

About 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine (PubChem CID 171452515) has the molecular formula C43H33N and a molecular weight of 567.77 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
PubChem CID171452515
Molecular FormulaC43H33N
Molecular Weight567.77 g/mol
Exact Mass567.29
IUPAC Name9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C43H33N/c1-43(2)41-18-9-8-17-39(41)40-26-25-38(29-42(40)43)44(36-23-21-32(22-24-36)30-11-4-3-5-12-30)37-16-10-15-34(28-37)35-20-19-31-13-6-7-14-33(31)27-35/h3-29H,1-2H3/i21D,22D,23D,24D
InChIKeyMGFCBDBCYKTLQC-PSPFTTDESA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.77
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171451946
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452097
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 171450914
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 171452807
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine (CID 171452515) is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine?
The InChIKey is MGFCBDBCYKTLQC-PSPFTTDESA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)41-18-9-8-17-39(41)40-26-25-38(29-42(40)43)44(36-23-21-32(22-24-36)30-11-4-3-5-12-30)37-16-10-15-34(28-37)35-20-19-31-13-6-7-14-33(31)27-35/h3-29H,1-2H3/i21D,22D,23D,24D.
What are the key properties of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine has a molecular weight of 567.77 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171452515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).