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

C65H46N4O2 — CID 155473375

IUPAC2-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
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)cc21
InChIInChI=1S/C65H46N4O2/c1-65(2)57-41-53(68(49-31-27-45(28-32-49)43-15-5-3-6-16-43)51-21-13-19-47(39-51)63-66-59-23-9-11-25-61(59)70-63)35-37-55(57)56-38-36-54(42-58(56)65)69(50-33-29-46(30-34-50)44-17-7-4-8-18-44)52-22-14-20-48(40-52)64-67-60-24-10-12-26-62(60)71-64/h3-42H,1-2H3
InChIKeyGIDJKHLXUXEGQO-UHFFFAOYSA-N
MW915.11 g/mol
LogP17.88
Rot. Bonds10

About 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

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 (PubChem CID 155473375) has the molecular formula C65H46N4O2 and a molecular weight of 915.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID155473375
Molecular FormulaC65H46N4O2
Molecular Weight915.11 g/mol
Exact Mass914.36
IUPAC Name2-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
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)cc21
InChIInChI=1S/C65H46N4O2/c1-65(2)57-41-53(68(49-31-27-45(28-32-49)43-15-5-3-6-16-43)51-21-13-19-47(39-51)63-66-59-23-9-11-25-61(59)70-63)35-37-55(57)56-38-36-54(42-58(56)65)69(50-33-29-46(30-34-50)44-17-7-4-8-18-44)52-22-14-20-48(40-52)64-67-60-24-10-12-26-62(60)71-64/h3-42H,1-2H3
InChIKeyGIDJKHLXUXEGQO-UHFFFAOYSA-N
XLogP17.88
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.11
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
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
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
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
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
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
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177082126
2-(5,5,15,15,25,25-hexamethyl-22-phenyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)-1,3-benzoxazole
CID 59413426

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5o4)c3)cc21.
What is the InChIKey of 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?
The InChIKey is GIDJKHLXUXEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N4O2/c1-65(2)57-41-53(68(49-31-27-45(28-32-49)43-15-5-3-6-16-43)51-21-13-19-47(39-51)63-66-59-23-9-11-25-61(59)70-63)35-37-55(57)56-38-36-54(42-58(56)65)69(50-33-29-46(30-34-50)44-17-7-4-8-18-44)52-22-14-20-48(40-52)64-67-60-24-10-12-26-62(60)71-64/h3-42H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 915.11 g/mol, XLogP of 17.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155473375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).