4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene

C40H33N3O — CID 134389425

IUPAC4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene
SMILESCN1c2c(oc3ccccc23)N2C=C(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C6=CCNC=C6)ccc4-5)cc3)C=CC12
InChIInChI=1S/C40H33N3O/c1-40(2)34-22-28(12-15-31(34)32-16-13-29(23-35(32)40)27-18-20-41-21-19-27)25-8-10-26(11-9-25)30-14-17-37-42(3)38-33-6-4-5-7-36(33)44-39(38)43(37)24-30/h4-20,22-24,37,41H,21H2,1-3H3
InChIKeyWFZPYLNRVLLBMU-UHFFFAOYSA-N
MW571.72 g/mol
LogP9.10
Rot. Bonds3

About 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene

4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene (PubChem CID 134389425) has the molecular formula C40H33N3O and a molecular weight of 571.72 g/mol. Its IUPAC name is 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene.

Molecular Properties

Compound Name4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene
PubChem CID134389425
Molecular FormulaC40H33N3O
Molecular Weight571.72 g/mol
Exact Mass571.26
IUPAC Name4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene
SMILESCN1c2c(oc3ccccc23)N2C=C(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C6=CCNC=C6)ccc4-5)cc3)C=CC12
InChIInChI=1S/C40H33N3O/c1-40(2)34-22-28(12-15-31(34)32-16-13-29(23-35(32)40)27-18-20-41-21-19-27)25-8-10-26(11-9-25)30-14-17-37-42(3)38-33-6-4-5-7-36(33)44-39(38)43(37)24-30/h4-20,22-24,37,41H,21H2,1-3H3
InChIKeyWFZPYLNRVLLBMU-UHFFFAOYSA-N
XLogP9.10
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene with MolForge

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Related Compounds

N-[4-[11-(1,2-dihydropyridin-4-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156548856
4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine
CID 129043994
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
CID 126746430
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
N-(7-dibenzofuran-2-yl-9H-fluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163575580
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene?
The IUPAC name of 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene (CID 134389425) is 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene.
What is the SMILES notation for 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene?
The canonical SMILES for 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene is CN1c2c(oc3ccccc23)N2C=C(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C6=CCNC=C6)ccc4-5)cc3)C=CC12.
What is the InChIKey of 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene?
The InChIKey is WFZPYLNRVLLBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O/c1-40(2)34-22-28(12-15-31(34)32-16-13-29(23-35(32)40)27-18-20-41-21-19-27)25-8-10-26(11-9-25)30-14-17-37-42(3)38-33-6-4-5-7-36(33)44-39(38)43(37)24-30/h4-20,22-24,37,41H,21H2,1-3H3.
What are the key properties of 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene?
4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene has a molecular weight of 571.72 g/mol, XLogP of 9.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene is sourced from PubChem (CID 134389425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).