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

C71H50N4O2 — CID 155473483

IUPACN-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C71H50N4O2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3
InChIKeyBROISHKCXXZEPO-UHFFFAOYSA-N
MW991.21 g/mol
LogP19.55
Rot. Bonds11

About 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

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 (PubChem CID 155473483) has the molecular formula C71H50N4O2 and a molecular weight of 991.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155473483
Molecular FormulaC71H50N4O2
Molecular Weight991.21 g/mol
Exact Mass990.39
IUPAC NameN-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C71H50N4O2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3
InChIKeyBROISHKCXXZEPO-UHFFFAOYSA-N
XLogP19.55
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
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-(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
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-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
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 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?
The InChIKey is BROISHKCXXZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4O2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 991.21 g/mol, XLogP of 19.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155473483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).