11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine

C67H50N2O — CID 168855932

IUPAC11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(cccc5c3)C3C=CC(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)=CC3O4)cc21
InChIInChI=1S/C67H50N2O/c1-67(2)62-24-13-12-22-58(62)59-39-37-55(42-63(59)67)69(54-35-29-50(30-36-54)47-19-10-5-11-20-47)57-41-51-21-14-23-61-60-40-38-56(43-64(60)70-65(44-57)66(51)61)68(52-31-25-48(26-32-52)45-15-6-3-7-16-45)53-33-27-49(28-34-53)46-17-8-4-9-18-46/h3-44,60,64H,1-2H3
InChIKeyFMYPOACDWFJZQO-UHFFFAOYSA-N
MW899.15 g/mol
LogP17.75
Rot. Bonds9

About 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine

11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine (PubChem CID 168855932) has the molecular formula C67H50N2O and a molecular weight of 899.15 g/mol. Its IUPAC name is 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine.

Molecular Properties

Compound Name11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
PubChem CID168855932
Molecular FormulaC67H50N2O
Molecular Weight899.15 g/mol
Exact Mass898.39
IUPAC Name11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(cccc5c3)C3C=CC(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)=CC3O4)cc21
InChIInChI=1S/C67H50N2O/c1-67(2)62-24-13-12-22-58(62)59-39-37-55(42-63(59)67)69(54-35-29-50(30-36-54)47-19-10-5-11-20-47)57-41-51-21-14-23-61-60-40-38-56(43-64(60)70-65(44-57)66(51)61)68(52-31-25-48(26-32-52)45-15-6-3-7-16-45)53-33-27-49(28-34-53)46-17-8-4-9-18-46/h3-44,60,64H,1-2H3
InChIKeyFMYPOACDWFJZQO-UHFFFAOYSA-N
XLogP17.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine with MolForge

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Related Compounds

11-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900464
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412224
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 118052131
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine?
The IUPAC name of 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine (CID 168855932) is 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine.
What is the SMILES notation for 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine?
The canonical SMILES for 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(cccc5c3)C3C=CC(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)=CC3O4)cc21.
What is the InChIKey of 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine?
The InChIKey is FMYPOACDWFJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N2O/c1-67(2)62-24-13-12-22-58(62)59-39-37-55(42-63(59)67)69(54-35-29-50(30-36-54)47-19-10-5-11-20-47)57-41-51-21-14-23-61-60-40-38-56(43-64(60)70-65(44-57)66(51)61)68(52-31-25-48(26-32-52)45-15-6-3-7-16-45)53-33-27-49(28-34-53)46-17-8-4-9-18-46/h3-44,60,64H,1-2H3.
What are the key properties of 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine?
11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine has a molecular weight of 899.15 g/mol, XLogP of 17.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine is sourced from PubChem (CID 168855932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).