N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline

C47H37N — CID 121424678

IUPACN-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline
SMILESCCN(Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C47H37N/c1-2-48(40-26-24-34(25-27-40)35-22-23-37-30-36-13-9-10-18-41(36)43(37)31-35)32-33-21-28-46-44(29-33)42-19-11-12-20-45(42)47(46,38-14-5-3-6-15-38)39-16-7-4-8-17-39/h3-29,31H,2,30,32H2,1H3
InChIKeyKTJGKBFRTJTZRP-UHFFFAOYSA-N
MW615.82 g/mol
LogP11.31
Rot. Bonds7

About N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline

N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline (PubChem CID 121424678) has the molecular formula C47H37N and a molecular weight of 615.82 g/mol. Its IUPAC name is N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline.

Molecular Properties

Compound NameN-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline
PubChem CID121424678
Molecular FormulaC47H37N
Molecular Weight615.82 g/mol
Exact Mass615.29
IUPAC NameN-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline
SMILESCCN(Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C47H37N/c1-2-48(40-26-24-34(25-27-40)35-22-23-37-30-36-13-9-10-18-41(36)43(37)31-35)32-33-21-28-46-44(29-33)42-19-11-12-20-45(42)47(46,38-14-5-3-6-15-38)39-16-7-4-8-17-39/h3-29,31H,2,30,32H2,1H3
InChIKeyKTJGKBFRTJTZRP-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
CID 159780690
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine
CID 160929512
3,9,9-triphenylfluorene
CID 140844354
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865

Frequently Asked Questions

What is the IUPAC name of N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline?
The IUPAC name of N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline (CID 121424678) is N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline.
What is the SMILES notation for N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline?
The canonical SMILES for N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline is CCN(Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline?
The InChIKey is KTJGKBFRTJTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N/c1-2-48(40-26-24-34(25-27-40)35-22-23-37-30-36-13-9-10-18-41(36)43(37)31-35)32-33-21-28-46-44(29-33)42-19-11-12-20-45(42)47(46,38-14-5-3-6-15-38)39-16-7-4-8-17-39/h3-29,31H,2,30,32H2,1H3.
What are the key properties of N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline?
N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline has a molecular weight of 615.82 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline is sourced from PubChem (CID 121424678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).