2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

C53H58Br2N2 — CID 59533074

IUPAC2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C53H58Br2N2/c1-3-5-7-9-11-19-37-53(38-20-12-10-8-6-4-2)51-39-47(56(43-21-15-13-16-22-43)45-29-25-41(54)26-30-45)33-35-49(51)50-36-34-48(40-52(50)53)57(44-23-17-14-18-24-44)46-31-27-42(55)28-32-46/h13-18,21-36,39-40H,3-12,19-20,37-38H2,1-2H3
InChIKeyNZDTZEPOTFVVCN-UHFFFAOYSA-N
MW882.87 g/mol
LogP17.92
Rot. Bonds20

About 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 59533074) has the molecular formula C53H58Br2N2 and a molecular weight of 882.87 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID59533074
Molecular FormulaC53H58Br2N2
Molecular Weight882.87 g/mol
Exact Mass880.30
IUPAC Name2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C53H58Br2N2/c1-3-5-7-9-11-19-37-53(38-20-12-10-8-6-4-2)51-39-47(56(43-21-15-13-16-22-43)45-29-25-41(54)26-30-45)33-35-49(51)50-36-34-48(40-52(50)53)57(44-23-17-14-18-24-44)46-31-27-42(55)28-32-46/h13-18,21-36,39-40H,3-12,19-20,37-38H2,1-2H3
InChIKeyNZDTZEPOTFVVCN-UHFFFAOYSA-N
XLogP17.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.87
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
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
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
[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 91666305
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
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
6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
CID 154982044
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 57384197

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 59533074) is 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is NZDTZEPOTFVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58Br2N2/c1-3-5-7-9-11-19-37-53(38-20-12-10-8-6-4-2)51-39-47(56(43-21-15-13-16-22-43)45-29-25-41(54)26-30-45)33-35-49(51)50-36-34-48(40-52(50)53)57(44-23-17-14-18-24-44)46-31-27-42(55)28-32-46/h13-18,21-36,39-40H,3-12,19-20,37-38H2,1-2H3.
What are the key properties of 2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 882.87 g/mol, XLogP of 17.92, 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)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 59533074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).