9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C75H64N2Si2 — CID 140738030

IUPAC9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESC[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccccc3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)ccc1-c1ccccc1)c1ccccc21
InChIInChI=1S/C75H64N2Si2/c1-78(2,3)75(79(4,5)6)67-51-71(76(59-37-21-11-22-38-59)69-49-57(53-29-13-7-14-30-53)45-47-61(69)55-33-17-9-18-34-55)63-41-25-27-43-65(63)73(67)74-66-44-28-26-42-64(66)72(52-68(74)75)77(60-39-23-12-24-40-60)70-50-58(54-31-15-8-16-32-54)46-48-62(70)56-35-19-10-20-36-56/h7-52H,1-6H3
InChIKeyOMQDTSUQZBKIHY-UHFFFAOYSA-N
MW1049.52 g/mol
LogP21.62
Rot. Bonds12

About 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 140738030) has the molecular formula C75H64N2Si2 and a molecular weight of 1049.52 g/mol. Its IUPAC name is 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID140738030
Molecular FormulaC75H64N2Si2
Molecular Weight1049.52 g/mol
Exact Mass1048.46
IUPAC Name9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESC[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccccc3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)ccc1-c1ccccc1)c1ccccc21
InChIInChI=1S/C75H64N2Si2/c1-78(2,3)75(79(4,5)6)67-51-71(76(59-37-21-11-22-38-59)69-49-57(53-29-13-7-14-30-53)45-47-61(69)55-33-17-9-18-34-55)63-41-25-27-43-65(63)73(67)74-66-44-28-26-42-64(66)72(52-68(74)75)77(60-39-23-12-24-40-60)70-50-58(54-31-15-8-16-32-54)46-48-62(70)56-35-19-10-20-36-56/h7-52H,1-6H3
InChIKeyOMQDTSUQZBKIHY-UHFFFAOYSA-N
XLogP21.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.52
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738096
9-N,15-N-bis(2,4-dimethylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738201
9-N,15-N-bis(3,4-dimethylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738150
12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
CID 166987766
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738274
5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738193
11,11-dimethyl-N,9-diphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170372991
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 140738043
9-N,9-N,15-N,15-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738174

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 140738030) is 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccccc3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)ccc1-c1ccccc1)c1ccccc21.
What is the InChIKey of 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is OMQDTSUQZBKIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H64N2Si2/c1-78(2,3)75(79(4,5)6)67-51-71(76(59-37-21-11-22-38-59)69-49-57(53-29-13-7-14-30-53)45-47-61(69)55-33-17-9-18-34-55)63-41-25-27-43-65(63)73(67)74-66-44-28-26-42-64(66)72(52-68(74)75)77(60-39-23-12-24-40-60)70-50-58(54-31-15-8-16-32-54)46-48-62(70)56-35-19-10-20-36-56/h7-52H,1-6H3.
What are the key properties of 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 1049.52 g/mol, XLogP of 21.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(2,5-diphenylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 140738030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).