2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine

C61H44N4O2 — CID 155478018

IUPAC2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3cccc(-c4nc5c(o4)CCC=C5)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4nc5ccccc5o4)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H44N4O2/c1-61(2)51-37-45(64(55-27-13-17-39-15-3-5-23-47(39)55)43-21-11-19-41(35-43)59-62-53-25-7-9-29-57(53)66-59)31-33-49(51)50-34-32-46(38-52(50)61)65(56-28-14-18-40-16-4-6-24-48(40)56)44-22-12-20-42(36-44)60-63-54-26-8-10-30-58(54)67-60/h3-9,11-29,31-38H,10,30H2,1-2H3
InChIKeyCXVIKRIYIDQDLT-UHFFFAOYSA-N
MW865.05 g/mol
LogP16.66
Rot. Bonds8

About 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine

2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine (PubChem CID 155478018) has the molecular formula C61H44N4O2 and a molecular weight of 865.05 g/mol. Its IUPAC name is 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
PubChem CID155478018
Molecular FormulaC61H44N4O2
Molecular Weight865.05 g/mol
Exact Mass864.35
IUPAC Name2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3cccc(-c4nc5c(o4)CCC=C5)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4nc5ccccc5o4)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H44N4O2/c1-61(2)51-37-45(64(55-27-13-17-39-15-3-5-23-47(39)55)43-21-11-19-41(35-43)59-62-53-25-7-9-29-57(53)66-59)31-33-49(51)50-34-32-46(38-52(50)61)65(56-28-14-18-40-16-4-6-24-48(40)56)44-22-12-20-42(36-44)60-63-54-26-8-10-30-58(54)67-60/h3-9,11-29,31-38H,10,30H2,1-2H3
InChIKeyCXVIKRIYIDQDLT-UHFFFAOYSA-N
XLogP16.66
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N,7-N-bis[3-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473375
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 155473489
5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 177081962
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,7-N-bis(11,11-dimethylbenzo[a]fluoren-9-yl)-9,9-dimethylfluorene-2,7-diamine
CID 155473563
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-di(triphenylen-2-yl)fluorene-2,7-diamine
CID 155473682
9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 171754874
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The IUPAC name of 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine (CID 155478018) is 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine.
What is the SMILES notation for 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The canonical SMILES for 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine is CC1(C)c2cc(N(c3cccc(-c4nc5c(o4)CCC=C5)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4nc5ccccc5o4)c3)c3cccc4ccccc34)cc21.
What is the InChIKey of 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
The InChIKey is CXVIKRIYIDQDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4O2/c1-61(2)51-37-45(64(55-27-13-17-39-15-3-5-23-47(39)55)43-21-11-19-41(35-43)59-62-53-25-7-9-29-57(53)66-59)31-33-49(51)50-34-32-46(38-52(50)61)65(56-28-14-18-40-16-4-6-24-48(40)56)44-22-12-20-42(36-44)60-63-54-26-8-10-30-58(54)67-60/h3-9,11-29,31-38H,10,30H2,1-2H3.
What are the key properties of 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine?
2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine has a molecular weight of 865.05 g/mol, XLogP of 16.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine is sourced from PubChem (CID 155478018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).