N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine

C45H57Br2N — CID 135170285

IUPACN,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine
SMILESCCCCCCC1(CCCCCC)c2cc(C(C)(C)C)ccc2-c2c(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc(C(C)(C)C)cc21
InChIInChI=1S/C45H57Br2N/c1-9-11-13-15-27-45(28-16-14-12-10-2)39-29-32(43(3,4)5)17-26-38(39)42-40(45)30-33(44(6,7)8)31-41(42)48(36-22-18-34(46)19-23-36)37-24-20-35(47)21-25-37/h17-26,29-31H,9-16,27-28H2,1-8H3
InChIKeyDJEFJUCGPSTUSE-UHFFFAOYSA-N
MW771.77 g/mol
LogP15.48
Rot. Bonds13

About N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine

N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine (PubChem CID 135170285) has the molecular formula C45H57Br2N and a molecular weight of 771.77 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine
PubChem CID135170285
Molecular FormulaC45H57Br2N
Molecular Weight771.77 g/mol
Exact Mass769.29
IUPAC NameN,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine
SMILESCCCCCCC1(CCCCCC)c2cc(C(C)(C)C)ccc2-c2c(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc(C(C)(C)C)cc21
InChIInChI=1S/C45H57Br2N/c1-9-11-13-15-27-45(28-16-14-12-10-2)39-29-32(43(3,4)5)17-26-38(39)42-40(45)30-33(44(6,7)8)31-41(42)48(36-22-18-34(46)19-23-36)37-24-20-35(47)21-25-37/h17-26,29-31H,9-16,27-28H2,1-8H3
InChIKeyDJEFJUCGPSTUSE-UHFFFAOYSA-N
XLogP15.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.77
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
N-[4-[4-(N-[4-(2-aminopropan-2-yl)phenyl]anilino)phenyl]phenyl]-9-tert-butyl-7,7-dihexyl-N-phenylbenzo[c]fluoren-5-amine
CID 145194058
2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
CID 146208407
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
N-(4-bromophenyl)-7-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]-9,9-dioctyl-N-(3-phenylphenyl)fluoren-2-amine
CID 153435519
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
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
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine (CID 135170285) is N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine is CCCCCCC1(CCCCCC)c2cc(C(C)(C)C)ccc2-c2c(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc(C(C)(C)C)cc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine?
The InChIKey is DJEFJUCGPSTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H57Br2N/c1-9-11-13-15-27-45(28-16-14-12-10-2)39-29-32(43(3,4)5)17-26-38(39)42-40(45)30-33(44(6,7)8)31-41(42)48(36-22-18-34(46)19-23-36)37-24-20-35(47)21-25-37/h17-26,29-31H,9-16,27-28H2,1-8H3.
What are the key properties of N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine?
N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine has a molecular weight of 771.77 g/mol, XLogP of 15.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine is sourced from PubChem (CID 135170285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).