2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine

C57H64Br2N2 — CID 144813753

IUPAC2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine
SMILESC=C(CCCCCCC)CC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C57H64Br2N2/c1-6-8-10-12-14-16-38-57(41-44(5)17-15-13-11-9-7-2)55-39-51(60(47-26-18-42(3)19-27-47)49-30-22-45(58)23-31-49)34-36-53(55)54-37-35-52(40-56(54)57)61(48-28-20-43(4)21-29-48)50-32-24-46(59)25-33-50/h18-37,39-40H,5-17,38,41H2,1-4H3
InChIKeyHTIJAQNWPSWTTR-UHFFFAOYSA-N
MW936.96 g/mol
LogP19.09
Rot. Bonds21

About 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine

2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine (PubChem CID 144813753) has the molecular formula C57H64Br2N2 and a molecular weight of 936.96 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine
PubChem CID144813753
Molecular FormulaC57H64Br2N2
Molecular Weight936.96 g/mol
Exact Mass934.34
IUPAC Name2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine
SMILESC=C(CCCCCCC)CC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C57H64Br2N2/c1-6-8-10-12-14-16-38-57(41-44(5)17-15-13-11-9-7-2)55-39-51(60(47-26-18-42(3)19-27-47)49-30-22-45(58)23-31-49)34-36-53(55)54-37-35-52(40-56(54)57)61(48-28-20-43(4)21-29-48)50-32-24-46(59)25-33-50/h18-37,39-40H,5-17,38,41H2,1-4H3
InChIKeyHTIJAQNWPSWTTR-UHFFFAOYSA-N
XLogP19.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.96
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(4-bromophenyl)-9-iodo-2-N,7-N,7-N-tris(4-methylphenyl)-9-octylfluorene-2,7-diamine
CID 142315300
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
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
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
N-(4-bromophenyl)-7-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]-9,9-dioctyl-N-(3-phenylphenyl)fluoren-2-amine
CID 153435519
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine (CID 144813753) is 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine is C=C(CCCCCCC)CC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine?
The InChIKey is HTIJAQNWPSWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H64Br2N2/c1-6-8-10-12-14-16-38-57(41-44(5)17-15-13-11-9-7-2)55-39-51(60(47-26-18-42(3)19-27-47)49-30-22-45(58)23-31-49)34-36-53(55)54-37-35-52(40-56(54)57)61(48-28-20-43(4)21-29-48)50-32-24-46(59)25-33-50/h18-37,39-40H,5-17,38,41H2,1-4H3.
What are the key properties of 2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine?
2-N,7-N-bis(4-bromophenyl)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine has a molecular weight of 936.96 g/mol, XLogP of 19.09, 21 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)-9-(2-methylidenenonyl)-2-N,7-N-bis(4-methylphenyl)-9-octylfluorene-2,7-diamine is sourced from PubChem (CID 144813753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).