5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine

C54H47N — CID 168802398

IUPAC5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
SMILESCC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4ccccc34)cc1C2(C)C
InChIInChI=1S/C54H47N/c1-52(2,3)46-24-15-25-47-51(46)42-29-27-37(33-48(42)54(47,6)7)55(36-28-30-45-43(32-36)40-21-12-13-23-44(40)53(45,4)5)49-31-26-35-17-9-11-20-39(35)50(49)41-22-14-18-34-16-8-10-19-38(34)41/h8-33H,1-7H3
InChIKeyRUPMNYAXOAFHMW-UHFFFAOYSA-N
MW709.98 g/mol
LogP15.04
Rot. Bonds4

About 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine

5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 168802398) has the molecular formula C54H47N and a molecular weight of 709.98 g/mol. Its IUPAC name is 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
PubChem CID168802398
Molecular FormulaC54H47N
Molecular Weight709.98 g/mol
Exact Mass709.37
IUPAC Name5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
SMILESCC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4ccccc34)cc1C2(C)C
InChIInChI=1S/C54H47N/c1-52(2,3)46-24-15-25-47-51(46)42-29-27-37(33-48(42)54(47,6)7)55(36-28-30-45-43(32-36)40-21-12-13-23-44(40)53(45,4)5)49-31-26-35-17-9-11-20-39(35)50(49)41-22-14-18-34-16-8-10-19-38(34)41/h8-33H,1-7H3
InChIKeyRUPMNYAXOAFHMW-UHFFFAOYSA-N
XLogP15.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.98
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
9,9-dimethyl-N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774638
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
CID 168802223
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774361
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774822

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine (CID 168802398) is 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine is CC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4ccccc34)cc1C2(C)C.
What is the InChIKey of 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is RUPMNYAXOAFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N/c1-52(2,3)46-24-15-25-47-51(46)42-29-27-37(33-48(42)54(47,6)7)55(36-28-30-45-43(32-36)40-21-12-13-23-44(40)53(45,4)5)49-31-26-35-17-9-11-20-39(35)50(49)41-22-14-18-34-16-8-10-19-38(34)41/h8-33H,1-7H3.
What are the key properties of 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 709.98 g/mol, XLogP of 15.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 168802398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).