N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine

C46H39N — CID 177079923

IUPACN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
SMILESCCC1(CC)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H39N/c1-5-46(6-2)42-27-32-16-8-7-15-31(32)26-39(42)38-25-23-34(29-43(38)46)47(44-21-13-17-30-14-9-10-18-35(30)44)33-22-24-37-36-19-11-12-20-40(36)45(3,4)41(37)28-33/h7-29H,5-6H2,1-4H3
InChIKeyPOHBZRCEXCDHFD-UHFFFAOYSA-N
MW605.83 g/mol
LogP12.86
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine (PubChem CID 177079923) has the molecular formula C46H39N and a molecular weight of 605.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
PubChem CID177079923
Molecular FormulaC46H39N
Molecular Weight605.83 g/mol
Exact Mass605.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
SMILESCCC1(CC)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H39N/c1-5-46(6-2)42-27-32-16-8-7-15-31(32)26-39(42)38-25-23-34(29-43(38)46)47(44-21-13-17-30-14-9-10-18-35(30)44)33-22-24-37-36-19-11-12-20-40(36)45(3,4)41(37)28-33/h7-29H,5-6H2,1-4H3
InChIKeyPOHBZRCEXCDHFD-UHFFFAOYSA-N
XLogP12.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
CID 177080145
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
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
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
CID 121276313
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine (CID 177079923) is N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine is CCC1(CC)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4ccccc34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine?
The InChIKey is POHBZRCEXCDHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N/c1-5-46(6-2)42-27-32-16-8-7-15-31(32)26-39(42)38-25-23-34(29-43(38)46)47(44-21-13-17-30-14-9-10-18-35(30)44)33-22-24-37-36-19-11-12-20-40(36)45(3,4)41(37)28-33/h7-29H,5-6H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine has a molecular weight of 605.83 g/mol, XLogP of 12.86, 5 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)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine is sourced from PubChem (CID 177079923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).