2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine

C79H102Br2N2 — CID 154592801

IUPAC2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)cc21
InChIInChI=1S/C79H102Br2N2/c1-19-21-23-25-27-29-43-79(44-30-28-26-24-22-20-2)61-45-55(82(53-35-31-51(80)32-36-53)57-47-63-67-64(48-57)72(5,6)76(13,14)69(67)75(11,12)71(63,3)4)39-41-59(61)60-42-40-56(46-62(60)79)83(54-37-33-52(81)34-38-54)58-49-65-68-66(50-58)74(9,10)78(17,18)70(68)77(15,16)73(65,7)8/h31-42,45-50,69-70H,19-30,43-44H2,1-18H3
InChIKeyRZYKNLJSZUMDEU-UHFFFAOYSA-N
MW1239.51 g/mol
LogP25.36
Rot. Bonds20

About 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine

2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 154592801) has the molecular formula C79H102Br2N2 and a molecular weight of 1239.51 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine
PubChem CID154592801
Molecular FormulaC79H102Br2N2
Molecular Weight1239.51 g/mol
Exact Mass1236.64
IUPAC Name2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)cc21
InChIInChI=1S/C79H102Br2N2/c1-19-21-23-25-27-29-43-79(44-30-28-26-24-22-20-2)61-45-55(82(53-35-31-51(80)32-36-53)57-47-63-67-64(48-57)72(5,6)76(13,14)69(67)75(11,12)71(63,3)4)39-41-59(61)60-42-40-56(46-62(60)79)83(54-37-33-52(81)34-38-54)58-49-65-68-66(50-58)74(9,10)78(17,18)70(68)77(15,16)73(65,7)8/h31-42,45-50,69-70H,19-30,43-44H2,1-18H3
InChIKeyRZYKNLJSZUMDEU-UHFFFAOYSA-N
XLogP25.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.51
LogP ≤ 525.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine
CID 144813753
2-N-(4-bromophenyl)-9-iodo-2-N,7-N,7-N-tris(4-methylphenyl)-9-octylfluorene-2,7-diamine
CID 142315300
N-(4-bromophenyl)-7-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]-9,9-dioctyl-N-(3-phenylphenyl)fluoren-2-amine
CID 153435519
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine (CID 154592801) is 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3cc4c5c(c3)C(C)(C)C(C)(C)C5C(C)(C)C4(C)C)cc21.
What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is RZYKNLJSZUMDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H102Br2N2/c1-19-21-23-25-27-29-43-79(44-30-28-26-24-22-20-2)61-45-55(82(53-35-31-51(80)32-36-53)57-47-63-67-64(48-57)72(5,6)76(13,14)69(67)75(11,12)71(63,3)4)39-41-59(61)60-42-40-56(46-62(60)79)83(54-37-33-52(81)34-38-54)58-49-65-68-66(50-58)74(9,10)78(17,18)70(68)77(15,16)73(65,7)8/h31-42,45-50,69-70H,19-30,43-44H2,1-18H3.
What are the key properties of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine?
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 1239.51 g/mol, XLogP of 25.36, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(2,2,3,3,5,5,6,6-octamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 154592801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).