2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine

C61H60N2O8 — CID 139762391

IUPAC2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine
SMILESCOCCOc1ccc(N(c2ccc(OCCOC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(OCCOC)cc4)c4ccc(OCCOC)cc4)ccc2-3)cc1
InChIInChI=1S/C61H60N2O8/c1-64-35-39-68-53-25-15-47(16-26-53)62(48-17-27-54(28-18-48)69-40-36-65-2)51-23-33-57-58-34-24-52(44-60(58)61(59(57)43-51,45-11-7-5-8-12-45)46-13-9-6-10-14-46)63(49-19-29-55(30-20-49)70-41-37-66-3)50-21-31-56(32-22-50)71-42-38-67-4/h5-34,43-44H,35-42H2,1-4H3
InChIKeyPWNYAJROXMIKBR-UHFFFAOYSA-N
MW949.16 g/mol
LogP13.09
Rot. Bonds24

About 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine (PubChem CID 139762391) has the molecular formula C61H60N2O8 and a molecular weight of 949.16 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine
PubChem CID139762391
Molecular FormulaC61H60N2O8
Molecular Weight949.16 g/mol
Exact Mass948.43
IUPAC Name2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine
SMILESCOCCOc1ccc(N(c2ccc(OCCOC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(OCCOC)cc4)c4ccc(OCCOC)cc4)ccc2-3)cc1
InChIInChI=1S/C61H60N2O8/c1-64-35-39-68-53-25-15-47(16-26-53)62(48-17-27-54(28-18-48)69-40-36-65-2)51-23-33-57-58-34-24-52(44-60(58)61(59(57)43-51,45-11-7-5-8-12-45)46-13-9-6-10-14-46)63(49-19-29-55(30-20-49)70-41-37-66-3)50-21-31-56(32-22-50)71-42-38-67-4/h5-34,43-44H,35-42H2,1-4H3
InChIKeyPWNYAJROXMIKBR-UHFFFAOYSA-N
XLogP13.09
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.16
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
3,3-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-11-oxido-N,N-diphenyl-11-phosphoniapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 177490102
N-[4-[4-(N-[9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 146517121
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
N-[4-[4-(N-[7,9-diphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[9-phenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 159808152
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
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-phenylfluoren-2-amine
CID 146516723
N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 167020089

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine (CID 139762391) is 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine is COCCOc1ccc(N(c2ccc(OCCOC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(OCCOC)cc4)c4ccc(OCCOC)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The InChIKey is PWNYAJROXMIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N2O8/c1-64-35-39-68-53-25-15-47(16-26-53)62(48-17-27-54(28-18-48)69-40-36-65-2)51-23-33-57-58-34-24-52(44-60(58)61(59(57)43-51,45-11-7-5-8-12-45)46-13-9-6-10-14-46)63(49-19-29-55(30-20-49)70-41-37-66-3)50-21-31-56(32-22-50)71-42-38-67-4/h5-34,43-44H,35-42H2,1-4H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine has a molecular weight of 949.16 g/mol, XLogP of 13.09, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 139762391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).