N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

C66H57N — CID 144741357

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1C=CC2=C(C1)C1=C(C=CCC1)C1C=C(Cc3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccccc3C21
InChIInChI=1S/C66H57N/c1-41-23-31-57-58(35-41)50-18-10-11-19-51(50)59-38-45(49-17-9-12-21-56(49)64(57)59)36-42-24-32-53-55-34-30-48(40-63(55)66(4,5)61(53)37-42)67(46-27-25-44(26-28-46)43-15-7-6-8-16-43)47-29-33-54-52-20-13-14-22-60(52)65(2,3)62(54)39-47/h6-9,11-17,19-34,37-41,59,64H,10,18,35-36H2,1-5H3
InChIKeyXVNMMCIJUBGHTN-UHFFFAOYSA-N
MW864.19 g/mol
LogP17.33
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 144741357) has the molecular formula C66H57N and a molecular weight of 864.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID144741357
Molecular FormulaC66H57N
Molecular Weight864.19 g/mol
Exact Mass863.45
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1C=CC2=C(C1)C1=C(C=CCC1)C1C=C(Cc3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccccc3C21
InChIInChI=1S/C66H57N/c1-41-23-31-57-58(35-41)50-18-10-11-19-51(50)59-38-45(49-17-9-12-21-56(49)64(57)59)36-42-24-32-53-55-34-30-48(40-63(55)66(4,5)61(53)37-42)67(46-27-25-44(26-28-46)43-15-7-6-8-16-43)47-29-33-54-52-20-13-14-22-60(52)65(2,3)62(54)39-47/h6-9,11-17,19-34,37-41,59,64H,10,18,35-36H2,1-5H3
InChIKeyXVNMMCIJUBGHTN-UHFFFAOYSA-N
XLogP17.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.19
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-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
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]methanethiol
CID 164745620
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-2-amine
CID 118146254
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
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
CID 134321233
3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]propane-1-thiol
CID 164745606
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 144741357) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1C=CC2=C(C1)C1=C(C=CCC1)C1C=C(Cc3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccccc3C21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XVNMMCIJUBGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57N/c1-41-23-31-57-58(35-41)50-18-10-11-19-51(50)59-38-45(49-17-9-12-21-56(49)64(57)59)36-42-24-32-53-55-34-30-48(40-63(55)66(4,5)61(53)37-42)67(46-27-25-44(26-28-46)43-15-7-6-8-16-43)47-29-33-54-52-20-13-14-22-60(52)65(2,3)62(54)39-47/h6-9,11-17,19-34,37-41,59,64H,10,18,35-36H2,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 864.19 g/mol, XLogP of 17.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-[(10-methyl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-2(7),3,8(13),11,15,17,19,21-octaenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144741357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).