2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine

C58H60Br2N2 — CID 134392992

IUPAC2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
SMILESCCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1
InChIInChI=1S/C58H60Br2N2/c1-10-12-14-43-31-39(5)56(40(6)32-43)61(48-20-16-46(59)17-21-48)50-24-26-52-53-27-25-51(36-55(53)58(9,54(52)35-50)45-29-37(3)28-38(4)30-45)62(49-22-18-47(60)19-23-49)57-41(7)33-44(15-13-11-2)34-42(57)8/h16-36H,10-15H2,1-9H3
InChIKeyOIVJKHRGLCBMJM-UHFFFAOYSA-N
MW944.94 g/mol
LogP18.02
Rot. Bonds13

About 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine

2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine (PubChem CID 134392992) has the molecular formula C58H60Br2N2 and a molecular weight of 944.94 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
PubChem CID134392992
Molecular FormulaC58H60Br2N2
Molecular Weight944.94 g/mol
Exact Mass942.31
IUPAC Name2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
SMILESCCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1
InChIInChI=1S/C58H60Br2N2/c1-10-12-14-43-31-39(5)56(40(6)32-43)61(48-20-16-46(59)17-21-48)50-24-26-52-53-27-25-51(36-55(53)58(9,54(52)35-50)45-29-37(3)28-38(4)30-45)62(49-22-18-47(60)19-23-49)57-41(7)33-44(15-13-11-2)34-42(57)8/h16-36H,10-15H2,1-9H3
InChIKeyOIVJKHRGLCBMJM-UHFFFAOYSA-N
XLogP18.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.94
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine with MolForge

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Related Compounds

9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
CID 152787696
4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
CID 118655597
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(4-butylphenyl)-9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(3-butylphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine;9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;9,9-bis(3,5-dimethylphenyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284312
2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-2-N,7-N-bis(3,5-dimethylphenyl)-9,10-dimethylphenanthrene-2,7-diamine
CID 118520725
CID 89038222
CID 89038222
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,7-N-bis(4-hexyl-2,6-dimethylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine
CID 118048522
bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene
CID 158161687
2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene
CID 90191586
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine (CID 134392992) is 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine is CCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.
What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine?
The InChIKey is OIVJKHRGLCBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60Br2N2/c1-10-12-14-43-31-39(5)56(40(6)32-43)61(48-20-16-46(59)17-21-48)50-24-26-52-53-27-25-51(36-55(53)58(9,54(52)35-50)45-29-37(3)28-38(4)30-45)62(49-22-18-47(60)19-23-49)57-41(7)33-44(15-13-11-2)34-42(57)8/h16-36H,10-15H2,1-9H3.
What are the key properties of 2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine?
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine has a molecular weight of 944.94 g/mol, XLogP of 18.02, 13 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)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine is sourced from PubChem (CID 134392992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).