22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine

C56H45NO — CID 170407070

IUPAC22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine
SMILESCC1(C)C2=C(C=C(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)CC2)c2c1c1ccccc1c1c2oc2c(C3=Cc4ccccc4CC3)cccc21
InChIInChI=1S/C56H45NO/c1-55(2)45-25-13-12-22-42(45)50-47(55)26-15-27-48(50)57(37-18-6-5-7-19-37)38-30-31-46-44(33-38)51-52(56(46,3)4)41-21-11-10-20-40(41)49-43-24-14-23-39(53(43)58-54(49)51)36-29-28-34-16-8-9-17-35(34)32-36/h5-27,32-33H,28-31H2,1-4H3
InChIKeyOOZCBWOKFHKPLY-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.09
Rot. Bonds4

About 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine

22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine (PubChem CID 170407070) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine.

Molecular Properties

Compound Name22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine
PubChem CID170407070
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC Name22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine
SMILESCC1(C)C2=C(C=C(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)CC2)c2c1c1ccccc1c1c2oc2c(C3=Cc4ccccc4CC3)cccc21
InChIInChI=1S/C56H45NO/c1-55(2)45-25-13-12-22-42(45)50-47(55)26-15-27-48(50)57(37-18-6-5-7-19-37)38-30-31-46-44(33-38)51-52(56(46,3)4)41-21-11-10-20-40(41)49-43-24-14-23-39(53(43)58-54(49)51)36-29-28-34-16-8-9-17-35(34)32-36/h5-27,32-33H,28-31H2,1-4H3
InChIKeyOOZCBWOKFHKPLY-UHFFFAOYSA-N
XLogP15.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine with MolForge

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Related Compounds

5-(3,4-dihydronaphthalen-2-yl)-9,9-dimethyl-N-phenyl-N-(3-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406779
9,9-dimethyl-4-phenyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406461
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-3-amine
CID 139568121
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406781
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine
CID 156827191
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150

Frequently Asked Questions

What is the IUPAC name of 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine?
The IUPAC name of 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine (CID 170407070) is 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine.
What is the SMILES notation for 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine?
The canonical SMILES for 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine is CC1(C)C2=C(C=C(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)CC2)c2c1c1ccccc1c1c2oc2c(C3=Cc4ccccc4CC3)cccc21.
What is the InChIKey of 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine?
The InChIKey is OOZCBWOKFHKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-55(2)45-25-13-12-22-42(45)50-47(55)26-15-27-48(50)57(37-18-6-5-7-19-37)38-30-31-46-44(33-38)51-52(56(46,3)4)41-21-11-10-20-40(41)49-43-24-14-23-39(53(43)58-54(49)51)36-29-28-34-16-8-9-17-35(34)32-36/h5-27,32-33H,28-31H2,1-4H3.
What are the key properties of 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine?
22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine has a molecular weight of 747.98 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine is sourced from PubChem (CID 170407070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).