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

C67H46N4O2 — CID 155473486

IUPAC7-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C67H46N4O2/c1-67(2)59-41-50(45-19-28-51(29-20-45)70(54-34-21-43-11-3-5-13-48(43)39-54)52-30-23-46(24-31-52)65-68-61-15-7-9-17-63(61)72-65)27-37-57(59)58-38-36-56(42-60(58)67)71(55-35-22-44-12-4-6-14-49(44)40-55)53-32-25-47(26-33-53)66-69-62-16-8-10-18-64(62)73-66/h3-42H,1-2H3
InChIKeyVRDBVCCDCSMTRA-UHFFFAOYSA-N
MW939.13 g/mol
LogP18.52
Rot. Bonds9

About 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

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 (PubChem CID 155473486) has the molecular formula C67H46N4O2 and a molecular weight of 939.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID155473486
Molecular FormulaC67H46N4O2
Molecular Weight939.13 g/mol
Exact Mass938.36
IUPAC Name7-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C67H46N4O2/c1-67(2)59-41-50(45-19-28-51(29-20-45)70(54-34-21-43-11-3-5-13-48(43)39-54)52-30-23-46(24-31-52)65-68-61-15-7-9-17-63(61)72-65)27-37-57(59)58-38-36-56(42-60(58)67)71(55-35-22-44-12-4-6-14-49(44)40-55)53-32-25-47(26-33-53)66-69-62-16-8-10-18-64(62)73-66/h3-42H,1-2H3
InChIKeyVRDBVCCDCSMTRA-UHFFFAOYSA-N
XLogP18.52
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.13
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
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]-2-N,7-N-bis(11,11-dimethylbenzo[a]fluoren-9-yl)-9,9-dimethylfluorene-2,7-diamine
CID 155473563
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
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
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
CID 172504267
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 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?
The InChIKey is VRDBVCCDCSMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4O2/c1-67(2)59-41-50(45-19-28-51(29-20-45)70(54-34-21-43-11-3-5-13-48(43)39-54)52-30-23-46(24-31-52)65-68-61-15-7-9-17-63(61)72-65)27-37-57(59)58-38-36-56(42-60(58)67)71(55-35-22-44-12-4-6-14-49(44)40-55)53-32-25-47(26-33-53)66-69-62-16-8-10-18-64(62)73-66/h3-42H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 939.13 g/mol, XLogP of 18.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155473486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).