N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

C64H55N — CID 177067093

IUPACN-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCCCCCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C64H55N/c1-4-5-6-9-18-47-31-37-52(38-32-47)65(53-39-41-57-55-23-14-16-25-59(55)63(61(57)43-53,48-19-10-7-11-20-48)50-33-27-45(2)28-34-50)54-40-42-58-56-24-15-17-26-60(56)64(62(58)44-54,49-21-12-8-13-22-49)51-35-29-46(3)30-36-51/h7-8,10-17,19-44H,4-6,9,18H2,1-3H3
InChIKeyZVZXKMAQAXORIW-UHFFFAOYSA-N
MW838.15 g/mol
LogP16.62
Rot. Bonds12

About N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (PubChem CID 177067093) has the molecular formula C64H55N and a molecular weight of 838.15 g/mol. Its IUPAC name is N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
PubChem CID177067093
Molecular FormulaC64H55N
Molecular Weight838.15 g/mol
Exact Mass837.43
IUPAC NameN-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCCCCCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C64H55N/c1-4-5-6-9-18-47-31-37-52(38-32-47)65(53-39-41-57-55-23-14-16-25-59(55)63(61(57)43-53,48-19-10-7-11-20-48)50-33-27-45(2)28-34-50)54-40-42-58-56-24-15-17-26-60(56)64(62(58)44-54,49-21-12-8-13-22-49)51-35-29-46(3)30-36-51/h7-8,10-17,19-44H,4-6,9,18H2,1-3H3
InChIKeyZVZXKMAQAXORIW-UHFFFAOYSA-N
XLogP16.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.15
LogP ≤ 516.62
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-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
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
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
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
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 158706072
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606387
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
CID 58556141
CID 58556141
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150

Frequently Asked Questions

What is the IUPAC name of N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The IUPAC name of N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (CID 177067093) is N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is CCCCCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The InChIKey is ZVZXKMAQAXORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N/c1-4-5-6-9-18-47-31-37-52(38-32-47)65(53-39-41-57-55-23-14-16-25-59(55)63(61(57)43-53,48-19-10-7-11-20-48)50-33-27-45(2)28-34-50)54-40-42-58-56-24-15-17-26-60(56)64(62(58)44-54,49-21-12-8-13-22-49)51-35-29-46(3)30-36-51/h7-8,10-17,19-44H,4-6,9,18H2,1-3H3.
What are the key properties of N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine has a molecular weight of 838.15 g/mol, XLogP of 16.62, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 177067093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).