9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine

C53H48N2 — CID 121276313

IUPAC9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
SMILESCCc1cccc(N(c2ccc3c(c2)C(CC)(CC)c2cc(N(c4cccc(CC)c4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)c1
InChIInChI=1S/C53H48N2/c1-5-37-17-13-23-41(33-37)54(51-27-15-21-39-19-9-11-25-45(39)51)43-29-31-47-48-32-30-44(36-50(48)53(7-3,8-4)49(47)35-43)55(42-24-14-18-38(6-2)34-42)52-28-16-22-40-20-10-12-26-46(40)52/h9-36H,5-8H2,1-4H3
InChIKeyNMFCBQYDNUSZHY-UHFFFAOYSA-N
MW712.98 g/mol
LogP15.14
Rot. Bonds10

About 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine

9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine (PubChem CID 121276313) has the molecular formula C53H48N2 and a molecular weight of 712.98 g/mol. Its IUPAC name is 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
PubChem CID121276313
Molecular FormulaC53H48N2
Molecular Weight712.98 g/mol
Exact Mass712.38
IUPAC Name9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
SMILESCCc1cccc(N(c2ccc3c(c2)C(CC)(CC)c2cc(N(c4cccc(CC)c4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)c1
InChIInChI=1S/C53H48N2/c1-5-37-17-13-23-41(33-37)54(51-27-15-21-39-19-9-11-25-45(39)51)43-29-31-47-48-32-30-44(36-50(48)53(7-3,8-4)49(47)35-43)55(42-24-14-18-38(6-2)34-42)52-28-16-22-40-20-10-12-26-46(40)52/h9-36H,5-8H2,1-4H3
InChIKeyNMFCBQYDNUSZHY-UHFFFAOYSA-N
XLogP15.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
CID 177079923
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
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
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
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
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-diethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-di(pyren-1-yl)fluorene-2,7-diamine
CID 58883884
9,9-diethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 159582762
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The IUPAC name of 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine (CID 121276313) is 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine.
What is the SMILES notation for 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The canonical SMILES for 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine is CCc1cccc(N(c2ccc3c(c2)C(CC)(CC)c2cc(N(c4cccc(CC)c4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)c1.
What is the InChIKey of 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The InChIKey is NMFCBQYDNUSZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N2/c1-5-37-17-13-23-41(33-37)54(51-27-15-21-39-19-9-11-25-45(39)51)43-29-31-47-48-32-30-44(36-50(48)53(7-3,8-4)49(47)35-43)55(42-24-14-18-38(6-2)34-42)52-28-16-22-40-20-10-12-26-46(40)52/h9-36H,5-8H2,1-4H3.
What are the key properties of 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine has a molecular weight of 712.98 g/mol, XLogP of 15.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine is sourced from PubChem (CID 121276313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).