12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine

C56H39NSi — CID 142346966

IUPAC12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)[Si](c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C56H39NSi/c1-5-17-40(18-6-1)42-29-33-47(34-30-42)57(48-35-31-43(32-36-48)41-19-7-2-8-20-41)56-51-28-16-15-23-46(51)39-54-55(56)52-37-44-21-13-14-22-45(44)38-53(52)58(54,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-39H
InChIKeyJBJFQKUFBFWEKR-UHFFFAOYSA-N
MW754.02 g/mol
LogP12.15
Rot. Bonds7

About 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine

12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine (PubChem CID 142346966) has the molecular formula C56H39NSi and a molecular weight of 754.02 g/mol. Its IUPAC name is 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine.

Molecular Properties

Compound Name12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine
PubChem CID142346966
Molecular FormulaC56H39NSi
Molecular Weight754.02 g/mol
Exact Mass753.29
IUPAC Name12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)[Si](c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C56H39NSi/c1-5-17-40(18-6-1)42-29-33-47(34-30-42)57(48-35-31-43(32-36-48)41-19-7-2-8-20-41)56-51-28-16-15-23-46(51)39-54-55(56)52-37-44-21-13-14-22-45(44)38-53(52)58(54,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-39H
InChIKeyJBJFQKUFBFWEKR-UHFFFAOYSA-N
XLogP12.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.02
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine with MolForge

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Related Compounds

N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140719464
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033362
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033120
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166031817
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 140728891
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 159472153
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299

Frequently Asked Questions

What is the IUPAC name of 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The IUPAC name of 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine (CID 142346966) is 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine.
What is the SMILES notation for 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The canonical SMILES for 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)[Si](c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The InChIKey is JBJFQKUFBFWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NSi/c1-5-17-40(18-6-1)42-29-33-47(34-30-42)57(48-35-31-43(32-36-48)41-19-7-2-8-20-41)56-51-28-16-15-23-46(51)39-54-55(56)52-37-44-21-13-14-22-45(44)38-53(52)58(54,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-39H.
What are the key properties of 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine?
12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine has a molecular weight of 754.02 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine is sourced from PubChem (CID 142346966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).