2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline

C90H84Br4N2O — CID 158706072

IUPAC2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
SMILESCCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CCCCCCc1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C45H41Br2N.C25H24Br2O.C20H19N/c1-4-5-6-7-8-33-13-15-34(16-14-33)45(43-29-36(46)19-27-41(43)42-28-20-37(47)30-44(42)45)35-17-25-40(26-18-35)48(38-21-9-31(2)10-22-38)39-23-11-32(3)12-24-39;1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h9-30H,4-8H2,1-3H3;7-16,28H,2-6H2,1H3;3-15H,1-2H3
InChIKeyIICYNQOBQQHQHE-UHFFFAOYSA-N
MW1529.29 g/mol
LogP27.16
Rot. Bonds19

About 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline

2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline (PubChem CID 158706072) has the molecular formula C90H84Br4N2O and a molecular weight of 1529.29 g/mol. Its IUPAC name is 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
PubChem CID158706072
Molecular FormulaC90H84Br4N2O
Molecular Weight1529.29 g/mol
Exact Mass1524.33
IUPAC Name2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
SMILESCCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CCCCCCc1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C45H41Br2N.C25H24Br2O.C20H19N/c1-4-5-6-7-8-33-13-15-34(16-14-33)45(43-29-36(46)19-27-41(43)42-28-20-37(47)30-44(42)45)35-17-25-40(26-18-35)48(38-21-9-31(2)10-22-38)39-23-11-32(3)12-24-39;1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h9-30H,4-8H2,1-3H3;7-16,28H,2-6H2,1H3;3-15H,1-2H3
InChIKeyIICYNQOBQQHQHE-UHFFFAOYSA-N
XLogP27.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001529.29
LogP ≤ 527.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline with MolForge

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Related Compounds

2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
9-N,10-N,10-N-tris(4-tert-butylphenyl)-9-N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]anthracene-9,10-diamine
CID 140553749
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
CID 141098766
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline (CID 158706072) is 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline is CCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CCCCCCc1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline?
The InChIKey is IICYNQOBQQHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41Br2N.C25H24Br2O.C20H19N/c1-4-5-6-7-8-33-13-15-34(16-14-33)45(43-29-36(46)19-27-41(43)42-28-20-37(47)30-44(42)45)35-17-25-40(26-18-35)48(38-21-9-31(2)10-22-38)39-23-11-32(3)12-24-39;1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h9-30H,4-8H2,1-3H3;7-16,28H,2-6H2,1H3;3-15H,1-2H3.
What are the key properties of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline?
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline has a molecular weight of 1529.29 g/mol, XLogP of 27.16, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 158706072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).