triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane

C45H33NS — CID 134172435

IUPACtriphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane
SMILESc1ccc(C2=Nc3cccc4c3C2c2cccc(-c3ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc3)c2C4)cc1
InChIInChI=1S/C45H33NS/c1-5-15-33(16-6-1)45-44-40-25-14-24-39(41(40)31-34-17-13-26-42(46-45)43(34)44)32-27-29-38(30-28-32)47(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-30,44H,31H2
InChIKeyIVWNXEFGOVVHNZ-UHFFFAOYSA-N
MW619.83 g/mol
LogP11.86
Rot. Bonds6

About triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane

triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane (PubChem CID 134172435) has the molecular formula C45H33NS and a molecular weight of 619.83 g/mol. Its IUPAC name is triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane
PubChem CID134172435
Molecular FormulaC45H33NS
Molecular Weight619.83 g/mol
Exact Mass619.23
IUPAC Nametriphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane
SMILESc1ccc(C2=Nc3cccc4c3C2c2cccc(-c3ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc3)c2C4)cc1
InChIInChI=1S/C45H33NS/c1-5-15-33(16-6-1)45-44-40-25-14-24-39(41(40)31-34-17-13-26-42(46-45)43(34)44)32-27-29-38(30-28-32)47(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-30,44H,31H2
InChIKeyIVWNXEFGOVVHNZ-UHFFFAOYSA-N
XLogP11.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane with MolForge

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Related Compounds

1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170245167
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 134172365
1,1-dimethyl-2-phenyl-10H-indeno[2,1-e]indole
CID 126559800
1-(4-iodophenyl)-9H-fluorene
CID 154332097
1-phenyl-9H-fluorene;4-(trifluoromethyl)benzenesulfonic acid
CID 158777181
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
9H-fluoren-4-amine;1-phenyl-9H-fluorene
CID 175396170
10-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene;10-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158834334
1-(4-bromophenyl)-9,10-dihydroanthracene
CID 57007724
6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol
CID 158597422

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane?
The IUPAC name of triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane (CID 134172435) is triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane?
The canonical SMILES for triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane is c1ccc(C2=Nc3cccc4c3C2c2cccc(-c3ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc3)c2C4)cc1.
What is the InChIKey of triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane?
The InChIKey is IVWNXEFGOVVHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NS/c1-5-15-33(16-6-1)45-44-40-25-14-24-39(41(40)31-34-17-13-26-42(46-45)43(34)44)32-27-29-38(30-28-32)47(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-30,44H,31H2.
What are the key properties of triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane?
triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane has a molecular weight of 619.83 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane is sourced from PubChem (CID 134172435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).