N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

C67H45NOSi — CID 153300548

IUPACN-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)[Si]4(c3ccccc3)c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H45NOSi/c1-6-20-48(21-7-1)67(49-22-8-2-9-23-49)59-32-18-16-30-55(59)56-40-39-52(45-60(56)67)68(50-24-10-3-11-25-50)51-37-34-46(35-38-51)47-36-42-63-58(44-47)66-64(43-41-62-65(66)57-31-17-19-33-61(57)69-62)70(63,53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-45H
InChIKeyCETJQPZQIZCHHR-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.44
Rot. Bonds8

About N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 153300548) has the molecular formula C67H45NOSi and a molecular weight of 908.19 g/mol. Its IUPAC name is N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID153300548
Molecular FormulaC67H45NOSi
Molecular Weight908.19 g/mol
Exact Mass907.33
IUPAC NameN-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)[Si]4(c3ccccc3)c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H45NOSi/c1-6-20-48(21-7-1)67(49-22-8-2-9-23-49)59-32-18-16-30-55(59)56-40-39-52(45-60(56)67)68(50-24-10-3-11-25-50)51-37-34-46(35-38-51)47-36-42-63-58(44-47)66-64(43-41-62-65(66)57-31-17-19-33-61(57)69-62)70(63,53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-45H
InChIKeyCETJQPZQIZCHHR-UHFFFAOYSA-N
XLogP14.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.19
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340

Frequently Asked Questions

What is the IUPAC name of N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (CID 153300548) is N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)[Si]4(c3ccccc3)c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is CETJQPZQIZCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NOSi/c1-6-20-48(21-7-1)67(49-22-8-2-9-23-49)59-32-18-16-30-55(59)56-40-39-52(45-60(56)67)68(50-24-10-3-11-25-50)51-37-34-46(35-38-51)47-36-42-63-58(44-47)66-64(43-41-62-65(66)57-31-17-19-33-61(57)69-62)70(63,53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-45H.
What are the key properties of N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 908.19 g/mol, XLogP of 14.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(14,14-diphenyl-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-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 153300548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).