3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline

C48H33N — CID 134352391

IUPAC3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)cc2)c1
InChIInChI=1S/C48H33N/c1-32-12-9-17-38(30-32)49(36-15-3-2-4-16-36)37-27-24-33(25-28-37)35-26-29-41-39-18-5-7-21-43(39)48(46(41)31-35)44-22-8-6-19-40(44)42-20-10-13-34-14-11-23-45(48)47(34)42/h2-31H,1H3
InChIKeyBFWMLQDENGXDSU-UHFFFAOYSA-N
MW623.80 g/mol
LogP12.63
Rot. Bonds4

About 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline

3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 134352391) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
PubChem CID134352391
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)cc2)c1
InChIInChI=1S/C48H33N/c1-32-12-9-17-38(30-32)49(36-15-3-2-4-16-36)37-27-24-33(25-28-37)35-26-29-41-39-18-5-7-21-43(39)48(46(41)31-35)44-22-8-6-19-40(44)42-20-10-13-34-14-11-23-45(48)47(34)42/h2-31H,1H3
InChIKeyBFWMLQDENGXDSU-UHFFFAOYSA-N
XLogP12.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(4-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 158059948
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline?
The IUPAC name of 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline (CID 134352391) is 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline.
What is the SMILES notation for 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline?
The canonical SMILES for 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)cc2)c1.
What is the InChIKey of 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline?
The InChIKey is BFWMLQDENGXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-32-12-9-17-38(30-32)49(36-15-3-2-4-16-36)37-27-24-33(25-28-37)35-26-29-41-39-18-5-7-21-43(39)48(46(41)31-35)44-22-8-6-19-40(44)42-20-10-13-34-14-11-23-45(48)47(34)42/h2-31H,1H3.
What are the key properties of 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline?
3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 623.80 g/mol, XLogP of 12.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 134352391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).