N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine

C60H46N2O — CID 134393119

IUPACN-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
SMILESCCC1(CC)c2ccccc2-c2c1cc(N(c1ccc3ccccc3c1)c1ccc3c4c(n(-c5ccccc5)c3c1)-c1c(ccc3ccccc13)C4(C)C)c1oc3ccccc3c21
InChIInChI=1S/C60H46N2O/c1-5-60(6-2)47-26-16-14-24-44(47)53-49(60)36-51(58-55(53)46-25-15-17-27-52(46)63-58)61(41-30-28-37-18-10-11-20-39(37)34-41)42-31-32-45-50(35-42)62(40-21-8-7-9-22-40)57-54-43-23-13-12-19-38(43)29-33-48(54)59(3,4)56(45)57/h7-36H,5-6H2,1-4H3
InChIKeyNUQZEHADGCYQAR-UHFFFAOYSA-N
MW811.04 g/mol
LogP16.70
Rot. Bonds6

About N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine

N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine (PubChem CID 134393119) has the molecular formula C60H46N2O and a molecular weight of 811.04 g/mol. Its IUPAC name is N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine.

Molecular Properties

Compound NameN-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
PubChem CID134393119
Molecular FormulaC60H46N2O
Molecular Weight811.04 g/mol
Exact Mass810.36
IUPAC NameN-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
SMILESCCC1(CC)c2ccccc2-c2c1cc(N(c1ccc3ccccc3c1)c1ccc3c4c(n(-c5ccccc5)c3c1)-c1c(ccc3ccccc13)C4(C)C)c1oc3ccccc3c21
InChIInChI=1S/C60H46N2O/c1-5-60(6-2)47-26-16-14-24-44(47)53-49(60)36-51(58-55(53)46-25-15-17-27-52(46)63-58)61(41-30-28-37-18-10-11-20-39(37)34-41)42-31-32-45-50(35-42)62(40-21-8-7-9-22-40)57-54-43-23-13-12-19-38(43)29-33-48(54)59(3,4)56(45)57/h7-36H,5-6H2,1-4H3
InChIKeyNUQZEHADGCYQAR-UHFFFAOYSA-N
XLogP16.70
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.04
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine with MolForge

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Related Compounds

N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
CID 134392953
9-naphthalen-2-yl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-2-amine
CID 170084568
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561240
17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 134561243
34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 134561214
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561487
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
N-dibenzofuran-3-yl-N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indol-7-amine
CID 134392952
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165054555
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline
CID 167352692

Frequently Asked Questions

What is the IUPAC name of N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The IUPAC name of N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine (CID 134393119) is N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine.
What is the SMILES notation for N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The canonical SMILES for N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine is CCC1(CC)c2ccccc2-c2c1cc(N(c1ccc3ccccc3c1)c1ccc3c4c(n(-c5ccccc5)c3c1)-c1c(ccc3ccccc13)C4(C)C)c1oc3ccccc3c21.
What is the InChIKey of N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The InChIKey is NUQZEHADGCYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2O/c1-5-60(6-2)47-26-16-14-24-44(47)53-49(60)36-51(58-55(53)46-25-15-17-27-52(46)63-58)61(41-30-28-37-18-10-11-20-39(37)34-41)42-31-32-45-50(35-42)62(40-21-8-7-9-22-40)57-54-43-23-13-12-19-38(43)29-33-48(54)59(3,4)56(45)57/h7-36H,5-6H2,1-4H3.
What are the key properties of N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine has a molecular weight of 811.04 g/mol, XLogP of 16.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine is sourced from PubChem (CID 134393119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).