N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C53H42Br2N2 — CID 59398831

IUPACN-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C53H42Br2N2/c1-35-5-19-43(20-6-35)56(44-21-7-36(2)8-22-44)47-27-13-39(14-28-47)53(51-33-41(54)17-31-49(51)50-32-18-42(55)34-52(50)53)40-15-29-48(30-16-40)57(45-23-9-37(3)10-24-45)46-25-11-38(4)12-26-46/h5-34H,1-4H3
InChIKeyJTTTTZLOROMOOM-UHFFFAOYSA-N
MW866.74 g/mol
LogP15.75
Rot. Bonds8

About N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59398831) has the molecular formula C53H42Br2N2 and a molecular weight of 866.74 g/mol. Its IUPAC name is N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59398831
Molecular FormulaC53H42Br2N2
Molecular Weight866.74 g/mol
Exact Mass864.17
IUPAC NameN-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C53H42Br2N2/c1-35-5-19-43(20-6-35)56(44-21-7-36(2)8-22-44)47-27-13-39(14-28-47)53(51-33-41(54)17-31-49(51)50-32-18-42(55)34-52(50)53)40-15-29-48(30-16-40)57(45-23-9-37(3)10-24-45)46-25-11-38(4)12-26-46/h5-34H,1-4H3
InChIKeyJTTTTZLOROMOOM-UHFFFAOYSA-N
XLogP15.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.74
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 70848334
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-[4-[2,7-dimethyl-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-phenylaniline;yttrium(3+)
CID 20779703
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
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
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 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) is N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is JTTTTZLOROMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42Br2N2/c1-35-5-19-43(20-6-35)56(44-21-7-36(2)8-22-44)47-27-13-39(14-28-47)53(51-33-41(54)17-31-49(51)50-32-18-42(55)34-52(50)53)40-15-29-48(30-16-40)57(45-23-9-37(3)10-24-45)46-25-11-38(4)12-26-46/h5-34H,1-4H3.
What are the key properties of N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 866.74 g/mol, XLogP of 15.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59398831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).