N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C48H37FN2 — CID 121447558

IUPACN-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc21
InChIInChI=1S/C48H37FN2/c1-48(2)43-15-9-7-13-40(43)41-30-29-39(31-44(41)48)51(37-25-19-33(20-26-37)32-11-5-4-6-12-32)38-27-21-34(22-28-38)46-42-14-8-10-16-45(42)50(3)47(46)35-17-23-36(49)24-18-35/h4-31H,1-3H3
InChIKeyLSWYBEIZXDLRNJ-UHFFFAOYSA-N
MW660.84 g/mol
LogP13.09
Rot. Bonds6

About N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 121447558) has the molecular formula C48H37FN2 and a molecular weight of 660.84 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID121447558
Molecular FormulaC48H37FN2
Molecular Weight660.84 g/mol
Exact Mass660.29
IUPAC NameN-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc21
InChIInChI=1S/C48H37FN2/c1-48(2)43-15-9-7-13-40(43)41-30-29-39(31-44(41)48)51(37-25-19-33(20-26-37)32-11-5-4-6-12-32)38-27-21-34(22-28-38)46-42-14-8-10-16-45(42)50(3)47(46)35-17-23-36(49)24-18-35/h4-31H,1-3H3
InChIKeyLSWYBEIZXDLRNJ-UHFFFAOYSA-N
XLogP13.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.84
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399215
N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139408685
N-[4-(1,3-dimethyl-2-phenylindol-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134507468
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
N-(9,9-dimethylfluoren-2-yl)-1,2,3-triphenyl-N-(4-phenylphenyl)phenanthro[9,10-b]pyrrol-6-amine;9,9-dimethyl-N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(1,3-diphenylpyrrolo[1,2-f]phenanthridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161137315
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-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2,3-diphenylpyrrolo[1,2-f]phenanthridin-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134394229
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenylindol-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 145064154
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 158166939

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 121447558) is N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccc(F)cc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc21.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LSWYBEIZXDLRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37FN2/c1-48(2)43-15-9-7-13-40(43)41-30-29-39(31-44(41)48)51(37-25-19-33(20-26-37)32-11-5-4-6-12-32)38-27-21-34(22-28-38)46-42-14-8-10-16-45(42)50(3)47(46)35-17-23-36(49)24-18-35/h4-31H,1-3H3.
What are the key properties of N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 660.84 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121447558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).