4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C60H36N2OS — CID 142509877

IUPAC4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
SMILESc1ccc(-c2cc(-c3cccc4sc5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)cc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-16-37(17-4-1)50-35-40(36-51(61-50)38-18-5-2-6-19-38)41-21-15-31-56-57(41)45-34-39(32-33-55(45)64-56)42-22-13-27-49-59(42)63-54-30-12-9-25-47(54)60(49)46-24-8-11-29-53(46)62-52-28-10-7-20-43(52)44-23-14-26-48(60)58(44)62/h1-36H
InChIKeyJTZKQCNERLEVKJ-UHFFFAOYSA-N
MW833.03 g/mol
LogP16.02
Rot. Bonds4

About 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 142509877) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

Compound Name4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
PubChem CID142509877
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
SMILESc1ccc(-c2cc(-c3cccc4sc5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)cc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-16-37(17-4-1)50-35-40(36-51(61-50)38-18-5-2-6-19-38)41-21-15-31-56-57(41)45-34-39(32-33-55(45)64-56)42-22-13-27-49-59(42)63-54-30-12-9-25-47(54)60(49)46-24-8-11-29-53(46)62-52-28-10-7-20-43(52)44-23-14-26-48(60)58(44)62/h1-36H
InChIKeyJTZKQCNERLEVKJ-UHFFFAOYSA-N
XLogP16.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156324963
N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-15-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156325067
N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-6-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156325087
N-[4-[10-(4-fluorophenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156325392
29-[(2R)-2-ethylhexoxy]-12-[(2S)-2-ethylhexoxy]-3,15-dithia-11,30-diazanonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triaconta-1,4,6,8,10(26),11,13,16,18,20,22,24,27,29-tetradecaene
CID 168327414
9-[4-[2,6-Di(propan-2-yl)phenyl]-6-[[6-(2-methylbenzo[e][1]benzothiol-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole
CID 165168077
O-(1-benzothiophen-2-yl) 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioate
CID 19069072
N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
CID 68016332
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230054
9-[4-[2-Methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole
CID 70906826
10-[4-(7,7-Dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]phenoxazine
CID 71023391
3-[9-(3-Dibenzothiophen-2-ylphenyl)-6-phenylcarbazol-3-yl]oxy-6,9-diphenylcarbazole
CID 71232541

Frequently Asked Questions

What is the IUPAC name of 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The IUPAC name of 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 142509877) is 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].
What is the SMILES notation for 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The canonical SMILES for 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is c1ccc(-c2cc(-c3cccc4sc5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)cc5c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The InChIKey is JTZKQCNERLEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-3-16-37(17-4-1)50-35-40(36-51(61-50)38-18-5-2-6-19-38)41-21-15-31-56-57(41)45-34-39(32-33-55(45)64-56)42-22-13-27-49-59(42)63-54-30-12-9-25-47(54)60(49)46-24-8-11-29-53(46)62-52-28-10-7-20-43(52)44-23-14-26-48(60)58(44)62/h1-36H.
What are the key properties of 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 833.03 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[9-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 142509877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).