9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C56H44N2 — CID 121450570

IUPAC9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1
InChIInChI=1S/C56H44N2/c1-56(2)50-27-17-16-26-48(50)49-37-36-47(38-51(49)56)58(45-32-28-40(29-33-45)39-18-8-4-9-19-39)46-34-30-42(31-35-46)53-52(41-20-10-5-11-21-41)54(43-22-12-6-13-23-43)57(3)55(53)44-24-14-7-15-25-44/h4-38H,1-3H3
InChIKeyHFNPFRRQKIKVSO-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.14
Rot. Bonds8

About 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 121450570) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID121450570
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1
InChIInChI=1S/C56H44N2/c1-56(2)50-27-17-16-26-48(50)49-37-36-47(38-51(49)56)58(45-32-28-40(29-33-45)39-18-8-4-9-19-39)46-34-30-42(31-35-46)53-52(41-20-10-5-11-21-41)54(43-22-12-6-13-23-43)57(3)55(53)44-24-14-7-15-25-44/h4-38H,1-3H3
InChIKeyHFNPFRRQKIKVSO-UHFFFAOYSA-N
XLogP15.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(1,3-dimethyl-2-phenylindol-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134507468
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399215
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121450573
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166676983
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 121450570) is 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is HFNPFRRQKIKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-56(2)50-27-17-16-26-48(50)49-37-36-47(38-51(49)56)58(45-32-28-40(29-33-45)39-18-8-4-9-19-39)46-34-30-42(31-35-46)53-52(41-20-10-5-11-21-41)54(43-22-12-6-13-23-43)57(3)55(53)44-24-14-7-15-25-44/h4-38H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 744.98 g/mol, XLogP of 15.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121450570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).