N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine

C40H47N — CID 150228680

IUPACN-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
SMILESCCCCCCCCCCCCCCN(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H47N/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-41(39-26-18-24-35-33-22-15-13-20-31(33)29-37(35)39)40-27-19-25-36-34-23-16-14-21-32(34)30-38(36)40/h13-16,18-27H,2-12,17,28-30H2,1H3
InChIKeyFUZSTSRALURPGD-UHFFFAOYSA-N
MW541.82 g/mol
LogP11.67
Rot. Bonds15

About N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine

N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine (PubChem CID 150228680) has the molecular formula C40H47N and a molecular weight of 541.82 g/mol. Its IUPAC name is N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine.

Molecular Properties

Compound NameN-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
PubChem CID150228680
Molecular FormulaC40H47N
Molecular Weight541.82 g/mol
Exact Mass541.37
IUPAC NameN-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
SMILESCCCCCCCCCCCCCCN(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H47N/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-41(39-26-18-24-35-33-22-15-13-20-31(33)29-37(35)39)40-27-19-25-36-34-23-16-14-21-32(34)30-38(36)40/h13-16,18-27H,2-12,17,28-30H2,1H3
InChIKeyFUZSTSRALURPGD-UHFFFAOYSA-N
XLogP11.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.82
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-didecyl-9H-fluoren-1-amine
CID 151349271
9H-fluorene;henicosane
CID 174789372
N,N-dimethylbutan-1-amine;9H-fluoren-1-ol
CID 67975331
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
bis(9H-fluorene);pentane
CID 159146463
N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride
CID 174279971
N-(9H-fluoren-1-yl)-N-propylprop-2-enamide
CID 150861275
1,2-dihexyl-9H-fluorene
CID 22141601
9H-fluorene-1-thiol;pentan-1-amine
CID 175214866
bis(9H-fluorene);methane;pentane
CID 158815702
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine?
The IUPAC name of N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine (CID 150228680) is N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine.
What is the SMILES notation for N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine?
The canonical SMILES for N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine is CCCCCCCCCCCCCCN(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine?
The InChIKey is FUZSTSRALURPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47N/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-41(39-26-18-24-35-33-22-15-13-20-31(33)29-37(35)39)40-27-19-25-36-34-23-16-14-21-32(34)30-38(36)40/h13-16,18-27H,2-12,17,28-30H2,1H3.
What are the key properties of N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine?
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine has a molecular weight of 541.82 g/mol, XLogP of 11.67, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine is sourced from PubChem (CID 150228680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).