N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C72H51NO2Si — CID 164700776

IUPACN,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C
InChIInChI=1S/C72H51NO2Si/c1-71(2)57-37-38-63-67(51-29-17-19-31-61(51)74-63)66(57)56-42-59-55(41-60(56)71)50-35-33-46(39-58(50)72(59,3)4)73(45-23-11-6-12-24-45)47-34-36-53-64(40-47)76(48-25-13-7-14-26-48,49-27-15-8-16-28-49)65-43-54(44-21-9-5-10-22-44)70-69(68(53)65)52-30-18-20-32-62(52)75-70/h5-43H,1-4H3
InChIKeyWRBANUDPFCYLFC-UHFFFAOYSA-N
MW990.29 g/mol
LogP16.59
Rot. Bonds6

About N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 164700776) has the molecular formula C72H51NO2Si and a molecular weight of 990.29 g/mol. Its IUPAC name is N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

Compound NameN,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
PubChem CID164700776
Molecular FormulaC72H51NO2Si
Molecular Weight990.29 g/mol
Exact Mass989.37
IUPAC NameN,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C
InChIInChI=1S/C72H51NO2Si/c1-71(2)57-37-38-63-67(51-29-17-19-31-61(51)74-63)66(57)56-42-59-55(41-60(56)71)50-35-33-46(39-58(50)72(59,3)4)73(45-23-11-6-12-24-45)47-34-36-53-64(40-47)76(48-25-13-7-14-26-48,49-27-15-8-16-28-49)65-43-54(44-21-9-5-10-22-44)70-69(68(53)65)52-30-18-20-32-62(52)75-70/h5-43H,1-4H3
InChIKeyWRBANUDPFCYLFC-UHFFFAOYSA-N
XLogP16.59
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.29
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The IUPAC name of N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 164700776) is N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.
What is the SMILES notation for N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The canonical SMILES for N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C.
What is the InChIKey of N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The InChIKey is WRBANUDPFCYLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51NO2Si/c1-71(2)57-37-38-63-67(51-29-17-19-31-61(51)74-63)66(57)56-42-59-55(41-60(56)71)50-35-33-46(39-58(50)72(59,3)4)73(45-23-11-6-12-24-45)47-34-36-53-64(40-47)76(48-25-13-7-14-26-48,49-27-15-8-16-28-49)65-43-54(44-21-9-5-10-22-44)70-69(68(53)65)52-30-18-20-32-62(52)75-70/h5-43H,1-4H3.
What are the key properties of N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 990.29 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,11,14,14-tetraphenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 164700776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).