N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine

C49H35N — CID 145138048

IUPACN-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
SMILESCc1ccccc1-c1cccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)c1C
InChIInChI=1S/C49H35N/c1-32-15-6-8-19-37(32)38-23-14-26-47(33(38)2)50(35-17-4-3-5-18-35)36-28-30-42-40-21-10-12-24-44(40)49(46(42)31-36)45-25-13-11-22-41(45)43-29-27-34-16-7-9-20-39(34)48(43)49/h3-31H,1-2H3
InChIKeyQALNAWFNZSBJBF-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.94
Rot. Bonds4

About N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine

N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine (PubChem CID 145138048) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
PubChem CID145138048
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
SMILESCc1ccccc1-c1cccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)c1C
InChIInChI=1S/C49H35N/c1-32-15-6-8-19-37(32)38-23-14-26-47(33(38)2)50(35-17-4-3-5-18-35)36-28-30-42-40-21-10-12-24-44(40)49(46(42)31-36)45-25-13-11-22-41(45)43-29-27-34-16-7-9-20-39(34)48(43)49/h3-31H,1-2H3
InChIKeyQALNAWFNZSBJBF-UHFFFAOYSA-N
XLogP12.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493502
N-(2,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494447
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730946
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-2'-amine
CID 166934032
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine?
The IUPAC name of N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine (CID 145138048) is N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine is Cc1ccccc1-c1cccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)c1C.
What is the InChIKey of N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine?
The InChIKey is QALNAWFNZSBJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-32-15-6-8-19-37(32)38-23-14-26-47(33(38)2)50(35-17-4-3-5-18-35)36-28-30-42-40-21-10-12-24-44(40)49(46(42)31-36)45-25-13-11-22-41(45)43-29-27-34-16-7-9-20-39(34)48(43)49/h3-31H,1-2H3.
What are the key properties of N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine?
N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine has a molecular weight of 637.83 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine is sourced from PubChem (CID 145138048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).