N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

C41H31N — CID 171452884

IUPACN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C41H31N/c1-41(2)38-22-8-7-20-36(38)37-25-24-32(27-39(37)41)42(40-23-11-15-29-13-4-6-19-35(29)40)31-17-9-16-30(26-31)34-21-10-14-28-12-3-5-18-33(28)34/h3-27H,1-2H3/i4D,6D,11D,13D,15D,19D,23D
InChIKeyFMMJHTRJQOUQSA-XWLHZVFPSA-N
MW544.75 g/mol
LogP11.44
Rot. Bonds4

About N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 171452884) has the molecular formula C41H31N and a molecular weight of 544.75 g/mol. Its IUPAC name is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID171452884
Molecular FormulaC41H31N
Molecular Weight544.75 g/mol
Exact Mass544.29
IUPAC NameN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C41H31N/c1-41(2)38-22-8-7-20-36(38)37-25-24-32(27-39(37)41)42(40-23-11-15-29-13-4-6-19-35(29)40)31-17-9-16-30(26-31)34-21-10-14-28-12-3-5-18-33(28)34/h3-27H,1-2H3/i4D,6D,11D,13D,15D,19D,23D
InChIKeyFMMJHTRJQOUQSA-XWLHZVFPSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.75
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171452423
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 167330314
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451334
2,3,4,5,6,7,8-heptadeuterio-N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 171452154
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451823
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171451041
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452264
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451632

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (CID 171452884) is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is FMMJHTRJQOUQSA-XWLHZVFPSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)38-22-8-7-20-36(38)37-25-24-32(27-39(37)41)42(40-23-11-15-29-13-4-6-19-35(29)40)31-17-9-16-30(26-31)34-21-10-14-28-12-3-5-18-33(28)34/h3-27H,1-2H3/i4D,6D,11D,13D,15D,19D,23D.
What are the key properties of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 544.75 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).