2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

C53H38N4O2 — CID 155473406

IUPAC2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc21
InChIInChI=1S/C53H38N4O2/c1-53(2)45-33-41(56(37-13-5-3-6-14-37)39-25-21-35(22-26-39)51-54-47-17-9-11-19-49(47)58-51)29-31-43(45)44-32-30-42(34-46(44)53)57(38-15-7-4-8-16-38)40-27-23-36(24-28-40)52-55-48-18-10-12-20-50(48)59-52/h3-34H,1-2H3
InChIKeyYDIGSNFZPAUJPC-UHFFFAOYSA-N
MW762.91 g/mol
LogP14.55
Rot. Bonds8

About 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 155473406) has the molecular formula C53H38N4O2 and a molecular weight of 762.91 g/mol. Its IUPAC name is 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID155473406
Molecular FormulaC53H38N4O2
Molecular Weight762.91 g/mol
Exact Mass762.30
IUPAC Name2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc21
InChIInChI=1S/C53H38N4O2/c1-53(2)45-33-41(56(37-13-5-3-6-14-37)39-25-21-35(22-26-39)51-54-47-17-9-11-19-49(47)58-51)29-31-43(45)44-32-30-42(34-46(44)53)57(38-15-7-4-8-16-38)40-27-23-36(24-28-40)52-55-48-18-10-12-20-50(48)59-52/h3-34H,1-2H3
InChIKeyYDIGSNFZPAUJPC-UHFFFAOYSA-N
XLogP14.55
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
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-di(triphenylen-2-yl)fluorene-2,7-diamine
CID 155473682
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
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-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
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
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473478
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
CID 146581867

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 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) is 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is YDIGSNFZPAUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4O2/c1-53(2)45-33-41(56(37-13-5-3-6-14-37)39-25-21-35(22-26-39)51-54-47-17-9-11-19-49(47)58-51)29-31-43(45)44-32-30-42(34-46(44)53)57(38-15-7-4-8-16-38)40-27-23-36(24-28-40)52-55-48-18-10-12-20-50(48)59-52/h3-34H,1-2H3.
What are the key properties of 2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 762.91 g/mol, XLogP of 14.55, 8 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[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 155473406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).