N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

C66H49N3Si — CID 123313617

IUPACN-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
SMILESC1=CC2c3cc(C4=CCC(N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc6c7ccccc7n7c8ccccc8c(c5)c67)C=C4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C66H49N3Si/c1-5-19-48(20-6-1)68-62-30-16-13-27-56(62)59-43-47(35-42-65(59)68)46-33-36-49(37-34-46)67(51-44-60-57-28-14-17-31-63(57)69-64-32-18-15-29-58(64)61(45-51)66(60)69)50-38-40-55(41-39-50)70(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-36,38-45,49,56,62H,37H2
InChIKeyIKMOLEJTCCRVFA-UHFFFAOYSA-N
MW912.23 g/mol
LogP13.49
Rot. Bonds9

About N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (PubChem CID 123313617) has the molecular formula C66H49N3Si and a molecular weight of 912.23 g/mol. Its IUPAC name is N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

Molecular Properties

Compound NameN-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
PubChem CID123313617
Molecular FormulaC66H49N3Si
Molecular Weight912.23 g/mol
Exact Mass911.37
IUPAC NameN-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
SMILESC1=CC2c3cc(C4=CCC(N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc6c7ccccc7n7c8ccccc8c(c5)c67)C=C4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C66H49N3Si/c1-5-19-48(20-6-1)68-62-30-16-13-27-56(62)59-43-47(35-42-65(59)68)46-33-36-49(37-34-46)67(51-44-60-57-28-14-17-31-63(57)69-64-32-18-15-29-58(64)61(45-51)66(60)69)50-38-40-55(41-39-50)70(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-36,38-45,49,56,62H,37H2
InChIKeyIKMOLEJTCCRVFA-UHFFFAOYSA-N
XLogP13.49
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.23
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine with MolForge

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Related Compounds

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N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylsilylphenyl)aniline
CID 123790804

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The IUPAC name of N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (CID 123313617) is N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.
What is the SMILES notation for N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The canonical SMILES for N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is C1=CC2c3cc(C4=CCC(N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc6c7ccccc7n7c8ccccc8c(c5)c67)C=C4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The InChIKey is IKMOLEJTCCRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3Si/c1-5-19-48(20-6-1)68-62-30-16-13-27-56(62)59-43-47(35-42-65(59)68)46-33-36-49(37-34-46)67(51-44-60-57-28-14-17-31-63(57)69-64-32-18-15-29-58(64)61(45-51)66(60)69)50-38-40-55(41-39-50)70(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-36,38-45,49,56,62H,37H2.
What are the key properties of N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine has a molecular weight of 912.23 g/mol, XLogP of 13.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-triphenylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is sourced from PubChem (CID 123313617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).