7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene

C123H146Br4N4 — CID 163812399

IUPAC7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C76H92Br2N2.C29H40Br2.C18H14N2/c1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-12H,19H2
InChIKeyNOKPGWIIFVZURA-UHFFFAOYSA-N
MW2000.16 g/mol
LogP40.66
Rot. Bonds47

About 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene

7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene (PubChem CID 163812399) has the molecular formula C123H146Br4N4 and a molecular weight of 2000.16 g/mol. Its IUPAC name is 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene.

Molecular Properties

Compound Name7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene
PubChem CID163812399
Molecular FormulaC123H146Br4N4
Molecular Weight2000.16 g/mol
Exact Mass1994.83
IUPAC Name7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C76H92Br2N2.C29H40Br2.C18H14N2/c1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-12H,19H2
InChIKeyNOKPGWIIFVZURA-UHFFFAOYSA-N
XLogP40.66
TPSA39.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds47
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002000.16
LogP ≤ 540.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene with MolForge

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Related Compounds

7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
CID 144690373
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
CID 144690372
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163496645
N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
2-bromo-9,9-dihexylfluorene
CID 18674600

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene?
The IUPAC name of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene (CID 163812399) is 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene.
What is the SMILES notation for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene?
The canonical SMILES for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene?
The InChIKey is NOKPGWIIFVZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H92Br2N2.C29H40Br2.C18H14N2/c1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-12H,19H2.
What are the key properties of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene?
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene has a molecular weight of 2000.16 g/mol, XLogP of 40.66, 47 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene is sourced from PubChem (CID 163812399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).