4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C54H44N2 — CID 155073724

IUPAC4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESC=Cc1ccc(-c2ccc(C)c(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3Nc3ccccc3)c2)cc1
InChIInChI=1S/C54H44N2/c1-5-38-21-24-41(25-22-38)42-23-20-37(2)49(34-42)50-35-45(31-33-53(50)55-43-16-10-7-11-17-43)56(44-28-26-40(27-29-44)39-14-8-6-9-15-39)46-30-32-48-47-18-12-13-19-51(47)54(3,4)52(48)36-46/h5-36,55H,1H2,2-4H3
InChIKeyJPBBHZKQMUEUEY-UHFFFAOYSA-N
MW720.96 g/mol
LogP15.16
Rot. Bonds9

About 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 155073724) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID155073724
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC Name4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESC=Cc1ccc(-c2ccc(C)c(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3Nc3ccccc3)c2)cc1
InChIInChI=1S/C54H44N2/c1-5-38-21-24-41(25-22-38)42-23-20-37(2)49(34-42)50-35-45(31-33-53(50)55-43-16-10-7-11-17-43)56(44-28-26-40(27-29-44)39-14-8-6-9-15-39)46-30-32-48-47-18-12-13-19-51(47)54(3,4)52(48)36-46/h5-36,55H,1H2,2-4H3
InChIKeyJPBBHZKQMUEUEY-UHFFFAOYSA-N
XLogP15.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 515.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146386855
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 155073724) is 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is C=Cc1ccc(-c2ccc(C)c(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is JPBBHZKQMUEUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-5-38-21-24-41(25-22-38)42-23-20-37(2)49(34-42)50-35-45(31-33-53(50)55-43-16-10-7-11-17-43)56(44-28-26-40(27-29-44)39-14-8-6-9-15-39)46-30-32-48-47-18-12-13-19-51(47)54(3,4)52(48)36-46/h5-36,55H,1H2,2-4H3.
What are the key properties of 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 720.96 g/mol, XLogP of 15.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-dimethylfluoren-2-yl)-2-[5-(4-ethenylphenyl)-2-methylphenyl]-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 155073724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).