N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine

C53H59N — CID 139762426

IUPACN,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C53H59N/c1-3-5-7-9-11-15-23-42-31-35-46(36-32-42)54(47-37-33-43(34-38-47)24-16-12-10-8-6-4-2)48-39-40-50-49-29-21-22-30-51(49)53(52(50)41-48,44-25-17-13-18-26-44)45-27-19-14-20-28-45/h13-14,17-22,25-41H,3-12,15-16,23-24H2,1-2H3
InChIKeyZFANYCTYMNNLAH-UHFFFAOYSA-N
MW710.06 g/mol
LogP15.33
Rot. Bonds19

About N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine

N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 139762426) has the molecular formula C53H59N and a molecular weight of 710.06 g/mol. Its IUPAC name is N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID139762426
Molecular FormulaC53H59N
Molecular Weight710.06 g/mol
Exact Mass709.46
IUPAC NameN,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C53H59N/c1-3-5-7-9-11-15-23-42-31-35-46(36-32-42)54(47-37-33-43(34-38-47)24-16-12-10-8-6-4-2)48-39-40-50-49-29-21-22-30-51(49)53(52(50)41-48,44-25-17-13-18-26-44)45-27-19-14-20-28-45/h13-14,17-22,25-41H,3-12,15-16,23-24H2,1-2H3
InChIKeyZFANYCTYMNNLAH-UHFFFAOYSA-N
XLogP15.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.06
LogP ≤ 515.33
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-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
CID 141098766
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 146414854
2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067054
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606387
CID 58556141
CID 58556141
9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine
CID 123293356
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine (CID 139762426) is N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine is CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is ZFANYCTYMNNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H59N/c1-3-5-7-9-11-15-23-42-31-35-46(36-32-42)54(47-37-33-43(34-38-47)24-16-12-10-8-6-4-2)48-39-40-50-49-29-21-22-30-51(49)53(52(50)41-48,44-25-17-13-18-26-44)45-27-19-14-20-28-45/h13-14,17-22,25-41H,3-12,15-16,23-24H2,1-2H3.
What are the key properties of N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine?
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 710.06 g/mol, XLogP of 15.33, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 139762426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).